1-(4-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-nitrophenyl)-3-methylpyrrolidine-2,5-dione
Chemical Structure Depiction of
1-(4-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-nitrophenyl)-3-methylpyrrolidine-2,5-dione
1-(4-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-nitrophenyl)-3-methylpyrrolidine-2,5-dione
Compound characteristics
| Compound ID: | K807-4500 |
| Compound Name: | 1-(4-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-nitrophenyl)-3-methylpyrrolidine-2,5-dione |
| Molecular Weight: | 511.88 |
| Molecular Formula: | C23 H21 Cl F3 N3 O5 |
| Smiles: | [H]OC1(CCN(CC1)c1ccc(cc1[N+]([O-])=O)N1C(CC(C)C1=O)=O)c1ccc(c(c1)C(F)(F)F)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5822 |
| logD: | 3.5822 |
| logSw: | -4.0044 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.495 |
| InChI Key: | ATCFDGYQOCKORG-CYBMUJFWSA-N |