N-methyl-4-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-propylbenzamide
Chemical Structure Depiction of
N-methyl-4-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-propylbenzamide
N-methyl-4-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-propylbenzamide
Compound characteristics
| Compound ID: | V022-6251 |
| Compound Name: | N-methyl-4-({[4-(2-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-propylbenzamide |
| Molecular Weight: | 457.6 |
| Molecular Formula: | C26 H27 N5 O S |
| Salt: | not_available |
| Smiles: | CCCN(C)C(c1ccc(CSc2nnc(c3ccncc3)n2c2ccccc2C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.951 |
| logD: | 3.951 |
| logSw: | -3.8061 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.24 |
| InChI Key: | YGWHGENAJVPQIN-UHFFFAOYSA-N |