N-{1-[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-3,5-dichlorobenzamide
Chemical Structure Depiction of
N-{1-[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-3,5-dichlorobenzamide
N-{1-[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-3,5-dichlorobenzamide
Compound characteristics
| Compound ID: | V015-1548 |
| Compound Name: | N-{1-[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-3,5-dichlorobenzamide |
| Molecular Weight: | 604.51 |
| Molecular Formula: | C30 H23 Cl2 N5 O3 S |
| Salt: | not_available |
| Smiles: | C(C(c1nnc(n1c1ccc(cc1)[N+]([O-])=O)SCc1ccccc1)NC(c1cc(cc(c1)[Cl])[Cl])=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1086 |
| logD: | 7.104 |
| logSw: | -6.5741 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.138 |
| InChI Key: | GMJMHRYGDYFLQY-MHZLTWQESA-N |