N-(4-{3-methoxy-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-{3-methoxy-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-4-methyl-3-nitrobenzamide
N-(4-{3-methoxy-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V004-4532 |
| Compound Name: | N-(4-{3-methoxy-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 497.43 |
| Molecular Formula: | C24 H18 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(cc1)n1c(c2cccc(c2)C(F)(F)F)nc(n1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8619 |
| logD: | 5.8603 |
| logSw: | -5.7228 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.406 |
| InChI Key: | RMMLDCSXVWMJAE-UHFFFAOYSA-N |