N-{[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-chloro-3-nitrobenzamide
Chemical Structure Depiction of
N-{[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-chloro-3-nitrobenzamide
N-{[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-chloro-3-nitrobenzamide
Compound characteristics
| Compound ID: | V015-1557 |
| Compound Name: | N-{[5-(benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-chloro-3-nitrobenzamide |
| Molecular Weight: | 524.94 |
| Molecular Formula: | C23 H17 Cl N6 O5 S |
| Salt: | not_available |
| Smiles: | C(c1nnc(n1c1ccc(cc1)[N+]([O-])=O)SCc1ccccc1)NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0591 |
| logD: | 4.0576 |
| logSw: | -4.5243 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.836 |
| InChI Key: | WVRDRJXQWBVRDY-UHFFFAOYSA-N |