2-chloro-N-{4-[3-methoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-{4-[3-methoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
2-chloro-N-{4-[3-methoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V002-7514 |
| Compound Name: | 2-chloro-N-{4-[3-methoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide |
| Molecular Weight: | 463.88 |
| Molecular Formula: | C23 H18 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1c1nc(nn1c1ccc(cc1)NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.2714 |
| logD: | 5.2702 |
| logSw: | -5.8955 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.707 |
| InChI Key: | XTZQXZOVLNWJOJ-UHFFFAOYSA-N |