N-{4-[3-methoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{4-[3-methoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methyl-3-nitrobenzamide
N-{4-[3-methoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V009-0401 |
| Compound Name: | N-{4-[3-methoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 443.46 |
| Molecular Formula: | C24 H21 N5 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1c1nc(nn1c1ccc(cc1)NC(c1ccc(C)c(c1)[N+]([O-])=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.1436 |
| logD: | 5.142 |
| logSw: | -4.9911 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.406 |
| InChI Key: | UVEYJULQQHBKQI-UHFFFAOYSA-N |