N-(5-chloro-2-methylphenyl)-2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
N-(5-chloro-2-methylphenyl)-2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F092-0413 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 475.01 |
| Molecular Formula: | C20 H15 Cl N4 O2 S3 |
| Smiles: | Cc1ccc(cc1NC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccccc1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6215 |
| logD: | 3.6199 |
| logSw: | -4.0079 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.748 |
| InChI Key: | YSIIALMVVCQYSY-UHFFFAOYSA-N |