N-[2-(4-chlorophenyl)ethyl]-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-[2-(4-chlorophenyl)ethyl]-2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
N-[2-(4-chlorophenyl)ethyl]-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: | F092-0450 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-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: | 489.04 |
| Molecular Formula: | C21 H17 Cl N4 O2 S3 |
| Smiles: | C(CNC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccccc1)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2151 |
| logD: | 3.2135 |
| logSw: | -3.649 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.609 |
| InChI Key: | QBINKPAIFSKWMW-UHFFFAOYSA-N |