2-(2-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}anilino)ethan-1-ol
Chemical Structure Depiction of
2-(2-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}anilino)ethan-1-ol
2-(2-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}anilino)ethan-1-ol
Compound characteristics
| Compound ID: | 8010-6602 |
| Compound Name: | 2-(2-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}anilino)ethan-1-ol |
| Molecular Weight: | 455.39 |
| Molecular Formula: | C19 H20 F3 N5 O5 |
| Smiles: | C(CO)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.5648 |
| logD: | 3.5648 |
| logSw: | -3.8625 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.117 |
| InChI Key: | CCRXWNIORWCGHP-UHFFFAOYSA-N |