N-[3-(methylsulfanyl)phenyl]-4-{[3-(trifluoromethyl)phenyl]methyl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-4-{[3-(trifluoromethyl)phenyl]methyl}piperazine-1-carboxamide
N-[3-(methylsulfanyl)phenyl]-4-{[3-(trifluoromethyl)phenyl]methyl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | Y206-3234 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-4-{[3-(trifluoromethyl)phenyl]methyl}piperazine-1-carboxamide |
| Molecular Weight: | 409.47 |
| Molecular Formula: | C20 H22 F3 N3 O S |
| Smiles: | CSc1cccc(c1)NC(N1CCN(CC1)Cc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9963 |
| logD: | 3.952 |
| logSw: | -4.1487 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.248 |
| InChI Key: | FIFQYQXXSHZZOY-UHFFFAOYSA-N |