N-(4-fluoro-3-methylphenyl)-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-(4-fluoro-3-methylphenyl)-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-(4-fluoro-3-methylphenyl)-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: | F092-0303 |
| Compound Name: | N-(4-fluoro-3-methylphenyl)-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: | 472.58 |
| Molecular Formula: | C21 H17 F N4 O2 S3 |
| Smiles: | Cc1ccccc1N1C2=C(C(NC(=N2)SCC(Nc2ccc(c(C)c2)F)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.1719 |
| logD: | 4.1703 |
| logSw: | -4.2564 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.145 |
| InChI Key: | KCZVCNDFKVYQRM-UHFFFAOYSA-N |