TL;DR: (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 473223-25-5) is a chemical compound with molecular formula C28H20N4O3S2 and molecular weight 524.09766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-5-imino-6-[3-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene]-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-5-imino-6-(3-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene)-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C28H20N4O3S2 |
| Molecular Weight | 524.09766 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.09766 Da |
| Heavy Atoms | 37 |
| Complexity | 998.0 |
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)C4=CC=CS4)OCC5=CC=CC6=CC=CC=C65 |
| InChIKey | ZCMDAFSHORTVGD-GQHYPKHLSA-N |
The XLogP value of 6.6 indicates that (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 473223-25-5.
The molecular formula of (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C28H20N4O3S2.
The molecular weight of (6Z)-5-imino-6-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 524.09766 g/mol.
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