N-(3-chloro-4-fluorophenyl)-2-{[6-methyl-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-{[6-methyl-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-{[6-methyl-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: | C200-6727 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[6-methyl-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: | 507.03 |
| Molecular Formula: | C21 H16 Cl F N4 O2 S3 |
| Smiles: | Cc1ccc(cc1)N1C2=C(C(N(C)C(=N2)SCC(Nc2ccc(c(c2)[Cl])F)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.684 |
| logD: | 4.6791 |
| logSw: | -4.834 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.753 |
| InChI Key: | MZSWJYJXCCMBHG-UHFFFAOYSA-N |