N-(butan-2-yl)-4-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(butan-2-yl)-4-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(butan-2-yl)-4-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V022-6239 |
| Compound Name: | N-(butan-2-yl)-4-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 457.6 |
| Molecular Formula: | C26 H27 N5 O S |
| Salt: | not_available |
| Smiles: | CCC(C)NC(c1ccc(CSc2nnc(c3ccncc3)n2c2ccccc2C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9988 |
| logD: | 3.9988 |
| logSw: | -3.9182 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.966 |
| InChI Key: | LNGBEDLPHIUMNV-IBGZPJMESA-N |