N-{4-[3-(2-methoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{4-[3-(2-methoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
N-{4-[3-(2-methoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V003-5217 |
| Compound Name: | N-{4-[3-(2-methoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide |
| Molecular Weight: | 473.49 |
| Molecular Formula: | C25 H23 N5 O5 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nc(nn1c1ccc(cc1)NC(c1cccc(c1)[N+]([O-])=O)=O)OCCOC |
| Stereo: | ACHIRAL |
| logP: | 4.5658 |
| logD: | 4.5646 |
| logSw: | -4.4642 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.923 |
| InChI Key: | QSLYJRSQVOJEJU-UHFFFAOYSA-N |