2-({[4-(3-chlorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
Chemical Structure Depiction of
2-({[4-(3-chlorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
2-({[4-(3-chlorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
Compound characteristics
| Compound ID: | V008-1593 |
| Compound Name: | 2-({[4-(3-chlorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide |
| Molecular Weight: | 443.01 |
| Molecular Formula: | C23 H27 Cl N4 O S |
| Smiles: | CCCN(C)C(c1ccccc1CSc1nnc(C(C)C)n1c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2494 |
| logD: | 5.2494 |
| logSw: | -5.5017 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.384 |
| InChI Key: | XQNWEHSKRFKECH-UHFFFAOYSA-N |