N-{[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5-dichlorobenzamide
Chemical Structure Depiction of
N-{[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5-dichlorobenzamide
N-{[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5-dichlorobenzamide
Compound characteristics
| Compound ID: | V015-1541 |
| Compound Name: | N-{[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5-dichlorobenzamide |
| Molecular Weight: | 514.39 |
| Molecular Formula: | C23 H17 Cl2 N5 O3 S |
| Salt: | not_available |
| Smiles: | C(c1nnc(n1c1ccc(cc1)[N+]([O-])=O)SCc1ccccc1)NC(c1cc(cc(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3279 |
| logD: | 5.3271 |
| logSw: | -6.0072 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.755 |
| InChI Key: | LTNDPIXKAFJQCP-UHFFFAOYSA-N |