1-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-N-(4H-1,2,4-triazol-4-yl)methanimine
Chemical Structure Depiction of
1-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-N-(4H-1,2,4-triazol-4-yl)methanimine
1-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-N-(4H-1,2,4-triazol-4-yl)methanimine
Compound characteristics
| Compound ID: | 8008-9811 |
| Compound Name: | 1-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-N-(4H-1,2,4-triazol-4-yl)methanimine |
| Molecular Weight: | 407.31 |
| Molecular Formula: | C17 H12 F3 N5 O4 |
| Smiles: | COc1cc(/C=N/n2cnnc2)ccc1Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.721 |
| logD: | 2.7144 |
| logSw: | -3.2927 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.838 |
| InChI Key: | JCQZHRUQSLGMQJ-UHFFFAOYSA-N |