2-[methyl(4-nitro-7-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol
Chemical Structure Depiction of
2-[methyl(4-nitro-7-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol
2-[methyl(4-nitro-7-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol
Compound characteristics
| Compound ID: | C091-0142 |
| Compound Name: | 2-[methyl(4-nitro-7-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol |
| Molecular Weight: | 466.42 |
| Molecular Formula: | C20 H21 F3 N6 O4 |
| Smiles: | CN(CCO)c1cc(c2c(c1[N+]([O-])=O)non2)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.0448 |
| logD: | 4.0448 |
| logSw: | -4.3264 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.849 |
| InChI Key: | ZRDBIYRTKLCOHO-UHFFFAOYSA-N |