4-nitro-N-(4-{3-[(propan-2-yl)oxy]-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)benzamide
Chemical Structure Depiction of
4-nitro-N-(4-{3-[(propan-2-yl)oxy]-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)benzamide
4-nitro-N-(4-{3-[(propan-2-yl)oxy]-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)benzamide
Compound characteristics
| Compound ID: | V025-1579 |
| Compound Name: | 4-nitro-N-(4-{3-[(propan-2-yl)oxy]-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)benzamide |
| Molecular Weight: | 511.46 |
| Molecular Formula: | C25 H20 F3 N5 O4 |
| Smiles: | CC(C)Oc1nc(c2ccc(cc2)C(F)(F)F)n(c2ccc(cc2)NC(c2ccc(cc2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.2616 |
| logD: | 6.2615 |
| logSw: | -5.6934 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.965 |
| InChI Key: | DQDUTRXICBDKCN-UHFFFAOYSA-N |