N-[(2-chlorophenyl)methyl]-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-[(2-chlorophenyl)methyl]-2-{[3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F092-0236 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-{[3-(2-methylphenyl)-7-oxo-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: | Cc1ccccc1N1C2=C(C(NC(=N2)SCC(NCc2ccccc2[Cl])=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.1773 |
| logD: | 4.1757 |
| logSw: | -4.3405 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.467 |
| InChI Key: | WDJHIXFQFUHILY-UHFFFAOYSA-N |