N-(5-chloro-2-methoxyphenyl)-2-(2-{[(4-methylphenyl)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-(5-chloro-2-methoxyphenyl)-2-(2-{[(4-methylphenyl)methyl]sulfanyl}-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
N-(5-chloro-2-methoxyphenyl)-2-(2-{[(4-methylphenyl)methyl]sulfanyl}-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
Compound characteristics
| Compound ID: | Y021-3475 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-(2-{[(4-methylphenyl)methyl]sulfanyl}-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide |
| Molecular Weight: | 471.96 |
| Molecular Formula: | C22 H22 Cl N5 O3 S |
| Smiles: | Cc1ccc(CSc2nc3NC(C(CC(Nc4cc(ccc4OC)[Cl])=O)Cn3n2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2197 |
| logD: | 3.1831 |
| logSw: | -3.5024 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.905 |
| InChI Key: | MVJGLJJIXJDIII-HNNXBMFYSA-N |