2-{[3-(4-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[3-(4-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[3-(4-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F092-0179 |
| Compound Name: | 2-{[3-(4-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 489.04 |
| Molecular Formula: | C21 H17 Cl N4 O2 S3 |
| Smiles: | Cc1ccc(CNC(CSC2NC(C3=C(N=2)N(C(=S)S3)c2ccc(cc2)[Cl])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9853 |
| logD: | 3.9837 |
| logSw: | -4.438 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.768 |
| InChI Key: | NARLMVFVBBFBSO-UHFFFAOYSA-N |