N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-nitrobenzamide
N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y502-1125 |
| Compound Name: | N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-3-nitrobenzamide |
| Molecular Weight: | 392.2 |
| Molecular Formula: | C16 H11 Cl2 N5 O3 |
| Smiles: | C(c1ccc(c(c1)[Cl])[Cl])n1cnc(NC(c2cccc(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9662 |
| logD: | 3.2262 |
| logSw: | -4.3916 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.933 |
| InChI Key: | ROAUMZLHMIAANI-UHFFFAOYSA-N |