N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V004-5158 |
| Compound Name: | N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide |
| Molecular Weight: | 473.49 |
| Molecular Formula: | C25 H23 N5 O5 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1c1nc(nn1c1ccc(cc1)NC(c1ccc(cc1)[N+]([O-])=O)=O)OCCOC |
| Stereo: | ACHIRAL |
| logP: | 4.2056 |
| logD: | 4.2055 |
| logSw: | -4.3929 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.923 |
| InChI Key: | FRDGDSFBDRBJFF-UHFFFAOYSA-N |