N-{4-[3-methoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{4-[3-methoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
N-{4-[3-methoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V030-2392 |
| Compound Name: | N-{4-[3-methoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C23 H19 N5 O4 |
| Smiles: | Cc1ccccc1c1nc(nn1c1ccc(cc1)NC(c1cccc(c1)[N+]([O-])=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7413 |
| logD: | 4.7401 |
| logSw: | -4.6594 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.707 |
| InChI Key: | VRCKMJKZFSUVFG-UHFFFAOYSA-N |