4-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[4-(propan-2-yl)phenyl]benzamide
Chemical Structure Depiction of
4-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[4-(propan-2-yl)phenyl]benzamide
4-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[4-(propan-2-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | V013-1042 |
| Compound Name: | 4-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[4-(propan-2-yl)phenyl]benzamide |
| Molecular Weight: | 456.61 |
| Molecular Formula: | C27 H28 N4 O S |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)NC(c1ccc(CSc2nnc(C)n2c2ccccc2C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4914 |
| logD: | 5.4912 |
| logSw: | -5.4265 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.551 |
| InChI Key: | CKEKRGYNLBILPZ-UHFFFAOYSA-N |