N-(3-chloro-4-fluorophenyl)-2-(2-{[(2-chlorophenyl)methyl]sulfanyl}-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-(2-{[(2-chlorophenyl)methyl]sulfanyl}-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
N-(3-chloro-4-fluorophenyl)-2-(2-{[(2-chlorophenyl)methyl]sulfanyl}-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
Compound characteristics
| Compound ID: | Y021-2912 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-(2-{[(2-chlorophenyl)methyl]sulfanyl}-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide |
| Molecular Weight: | 480.35 |
| Molecular Formula: | C20 H16 Cl2 F N5 O2 S |
| Smiles: | C(C1Cn2c(NC1=O)nc(n2)SCc1ccccc1[Cl])C(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2099 |
| logD: | 4.1316 |
| logSw: | -4.3815 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.973 |
| InChI Key: | KVCXRSOIBNIKLE-LBPRGKRZSA-N |