2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-N-phenyl-7-(pyridin-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-N-phenyl-7-(pyridin-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-N-phenyl-7-(pyridin-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C118-0496 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-N-phenyl-7-(pyridin-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 489 |
| Molecular Formula: | C25 H21 Cl N6 O S |
| Smiles: | CC1=C(C(c2ccccn2)n2c(N1)nc(n2)SCc1ccccc1[Cl])C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7948 |
| logD: | 4.7941 |
| logSw: | -4.7728 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.638 |
| InChI Key: | DYBIFRCIWICDEB-QFIPXVFZSA-N |