4-methyl-3-nitro-N-(4-{3-[(propan-2-yl)oxy]-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)benzamide
Chemical Structure Depiction of
4-methyl-3-nitro-N-(4-{3-[(propan-2-yl)oxy]-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)benzamide
4-methyl-3-nitro-N-(4-{3-[(propan-2-yl)oxy]-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)benzamide
Compound characteristics
| Compound ID: | V009-4802 |
| Compound Name: | 4-methyl-3-nitro-N-(4-{3-[(propan-2-yl)oxy]-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)benzamide |
| Molecular Weight: | 525.49 |
| Molecular Formula: | C26 H22 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)Oc1nc(c2cccc(c2)C(F)(F)F)n(c2ccc(cc2)NC(c2ccc(C)c(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.6131 |
| logD: | 6.6115 |
| logSw: | -5.8318 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.664 |
| InChI Key: | PLNCBTOHKZFCTO-UHFFFAOYSA-N |