N-(3-{3-[2-(4-methoxyphenyl)ethoxy]-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(3-{3-[2-(4-methoxyphenyl)ethoxy]-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-4-nitrobenzamide
N-(3-{3-[2-(4-methoxyphenyl)ethoxy]-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V027-0046 |
| Compound Name: | N-(3-{3-[2-(4-methoxyphenyl)ethoxy]-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-4-nitrobenzamide |
| Molecular Weight: | 603.56 |
| Molecular Formula: | C31 H24 F3 N5 O5 |
| Salt: | not_available |
| Smiles: | COc1ccc(CCOc2nc(c3ccc(cc3)C(F)(F)F)n(c3cccc(c3)NC(c3ccc(cc3)[N+]([O-])=O)=O)n2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.6401 |
| logD: | 7.6401 |
| logSw: | -5.7212 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.853 |
| InChI Key: | IUKYZNFEGDXXIG-UHFFFAOYSA-N |