N-(3,4-dichlorophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
N-(3,4-dichlorophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0455 |
| Compound Name: | N-(3,4-dichlorophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide |
| Molecular Weight: | 344.15 |
| Molecular Formula: | C12 H11 Cl2 N5 O3 |
| Smiles: | C(CC(Nc1ccc(c(c1)[Cl])[Cl])=O)Cn1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.15 |
| logD: | 2.106 |
| logSw: | -3.1217 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.762 |
| InChI Key: | MVEATXROYCMTPN-UHFFFAOYSA-N |