N-ethyl-3-(4-methylpiperazine-1-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide
Chemical Structure Depiction of
N-ethyl-3-(4-methylpiperazine-1-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide
N-ethyl-3-(4-methylpiperazine-1-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide
Compound characteristics
| Compound ID: | V029-9793 |
| Compound Name: | N-ethyl-3-(4-methylpiperazine-1-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide |
| Molecular Weight: | 428.52 |
| Molecular Formula: | C20 H27 F3 N4 O S |
| Smiles: | CCNC(N1CC(C(C1)c1cccc(c1)C(F)(F)F)C(N1CCN(C)CC1)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.582 |
| logD: | 2.234 |
| logSw: | -3.034 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.442 |
| InChI Key: | XDNKREJGPIRARU-UHFFFAOYSA-N |