2-[(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-[(4-nitro-7-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol
2-[(4-nitro-7-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol
Compound characteristics
| Compound ID: | C091-0143 |
| Compound Name: | 2-[(4-nitro-7-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-2,1,3-benzoxadiazol-5-yl)amino]ethan-1-ol |
| Molecular Weight: | 452.39 |
| Molecular Formula: | C19 H19 F3 N6 O4 |
| Smiles: | C(CO)Nc1cc(c2c(c1[N+]([O-])=O)non2)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.1507 |
| logD: | 4.1507 |
| logSw: | -4.3976 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.596 |
| InChI Key: | PYSXACLZZCEXBW-UHFFFAOYSA-N |