TL;DR: (7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CAS 840470-21-5) is a chemical compound with molecular formula C18H13Cl2N3OS and molecular weight 389.01562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
Also Known As: (7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one, (7Z)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one, (Z)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
| Molecular Formula | C18H13Cl2N3OS |
| Molecular Weight | 389.01562 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.01562 Da |
| Heavy Atoms | 25 |
| Complexity | 581.0 |
| SMILES | C1N=C2N(CN1C3=CC=C(C=C3)Cl)C(=O)/C(=C/C4=CC=C(C=C4)Cl)/S2 |
| InChIKey | UUUNLPBTYNCQGI-SXGWCWSVSA-N |
The XLogP value of 5.3 indicates that (7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one. Following Lipinski's Rule of Five, (7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is 840470-21-5.
The molecular formula of (7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is C18H13Cl2N3OS.
The molecular weight of (7Z)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is 389.01562 g/mol.
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