N-(3-chloro-4-fluorophenyl)-2-{[3-(4-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-chloro-4-fluorophenyl)-2-{[3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[3-(4-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: | F092-0548 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 493 |
| Molecular Formula: | C20 H14 Cl F N4 O2 S3 |
| Smiles: | Cc1ccc(cc1)N1C2=C(C(NC(=N2)SCC(Nc2ccc(c(c2)[Cl])F)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.4395 |
| logD: | 4.4345 |
| logSw: | -4.5544 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.445 |
| InChI Key: | YVCMGLXHNUDPKF-UHFFFAOYSA-N |