TL;DR: (7Z)-3-(4-ethoxyphenyl)-7-[(2E)-3-phenylprop-2-en-1-ylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one (CAS 840456-70-4) is a chemical compound with molecular formula C22H21N3O2S and molecular weight 391.13544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7Z)-3-(4-ethoxyphenyl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
Also Known As: (7Z)-3-(4-ethoxyphenyl)-7-[(2E)-3-phenylprop-2-en-1-ylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one, (7Z)-3-(4-ethoxyphenyl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one, (Z)-3-(4-ethoxyphenyl)-7-((E)-3-phenylallylidene)-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
| Molecular Formula | C22H21N3O2S |
| Molecular Weight | 391.13544 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.13544 Da |
| Heavy Atoms | 28 |
| Complexity | 646.0 |
| SMILES | CCOC1=CC=C(C=C1)N2CN=C3N(C2)C(=O)/C(=C/C=C/C4=CC=CC=C4)/S3 |
| InChIKey | WZRNBBKBILJVMC-CRVGVPJFSA-N |
The XLogP value of 5.1 indicates that (7Z)-3-(4-ethoxyphenyl)-7-[(2E)-3-phenylprop-2-en-1-ylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (7Z)-3-(4-ethoxyphenyl)-7-[(2E)-3-phenylprop-2-en-1-ylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one. Following Lipinski's Rule of Five, (7Z)-3-(4-ethoxyphenyl)-7-[(2E)-3-phenylprop-2-en-1-ylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (7Z)-3-(4-ethoxyphenyl)-7-[(2E)-3-phenylprop-2-en-1-ylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one is 840456-70-4.
The molecular formula of (7Z)-3-(4-ethoxyphenyl)-7-[(2E)-3-phenylprop-2-en-1-ylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one is C22H21N3O2S.
The molecular weight of (7Z)-3-(4-ethoxyphenyl)-7-[(2E)-3-phenylprop-2-en-1-ylidene]-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one is 391.13544 g/mol.
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