N-(3-chloro-2-methylphenyl)-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-(3-chloro-2-methylphenyl)-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-(3-chloro-2-methylphenyl)-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: | Y021-2909 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-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: | 455.96 |
| Molecular Formula: | C22 H22 Cl N5 O2 S |
| Smiles: | Cc1ccc(CSc2nc3NC(C(CC(Nc4cccc(c4C)[Cl])=O)Cn3n2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7742 |
| logD: | 3.7718 |
| logSw: | -3.9647 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.275 |
| InChI Key: | UFXJGRISAZAQAY-INIZCTEOSA-N |