N-(3-fluoro-4-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-(3-fluoro-4-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-(3-fluoro-4-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: | F092-0269 |
| Compound Name: | N-(3-fluoro-4-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: | 4.3638 |
| logD: | 4.3622 |
| logSw: | -4.2929 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.145 |
| InChI Key: | WVROJMSONQUIQX-UHFFFAOYSA-N |