N-benzyl-2-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}aniline
Chemical Structure Depiction of
N-benzyl-2-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}aniline
N-benzyl-2-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}aniline
Compound characteristics
| Compound ID: | 2369-0777 |
| Compound Name: | N-benzyl-2-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}aniline |
| Molecular Weight: | 501.46 |
| Molecular Formula: | C24 H22 F3 N5 O4 |
| Smiles: | C(c1ccccc1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.4915 |
| logD: | 5.4915 |
| logSw: | -6.0712 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.348 |
| InChI Key: | OSWFOMBYTLNBGC-UHFFFAOYSA-N |