3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
Chemical Structure Depiction of
3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
Compound characteristics
| Compound ID: | V027-9544 |
| Compound Name: | 3-({[5-benzyl-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide |
| Molecular Weight: | 491.05 |
| Molecular Formula: | C27 H27 Cl N4 O S |
| Salt: | not_available |
| Smiles: | CCCN(C)C(c1cccc(CSc2nnc(Cc3ccccc3)n2c2cccc(c2)[Cl])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2905 |
| logD: | 5.2905 |
| logSw: | -5.7689 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.089 |
| InChI Key: | RSQQEHGMDMJQOJ-UHFFFAOYSA-N |