N-{3-[3-methoxy-5-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{3-[3-methoxy-5-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
N-{3-[3-methoxy-5-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V025-4403 |
| Compound Name: | N-{3-[3-methoxy-5-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide |
| Molecular Weight: | 445.43 |
| Molecular Formula: | C23 H19 N5 O5 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1nc(nn1c1cccc(c1)NC(c1ccc(cc1)[N+]([O-])=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9291 |
| logD: | 4.9291 |
| logSw: | -4.7375 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.25 |
| InChI Key: | TXQNZIUYIDLOCA-UHFFFAOYSA-N |