N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(4-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(4-nitrophenyl)prop-2-enamide
N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(4-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | V018-1779 |
| Compound Name: | N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(4-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 499.53 |
| Molecular Formula: | C27 H25 N5 O5 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1c1nc(nn1c1ccc(cc1)NC(/C=C/c1ccc(cc1)[N+]([O-])=O)=O)OCCOC |
| Stereo: | ACHIRAL |
| logP: | 4.8829 |
| logD: | 4.8828 |
| logSw: | -4.6286 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.71 |
| InChI Key: | ZMICQMOYTABGGO-UHFFFAOYSA-N |