1-{3-[1-(methanesulfonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl}-N-{[2-(trifluoromethyl)phenyl]methyl}methanamine
Chemical Structure Depiction of
1-{3-[1-(methanesulfonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl}-N-{[2-(trifluoromethyl)phenyl]methyl}methanamine
1-{3-[1-(methanesulfonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl}-N-{[2-(trifluoromethyl)phenyl]methyl}methanamine
Compound characteristics
| Compound ID: | SC18-0031 |
| Compound Name: | 1-{3-[1-(methanesulfonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl}-N-{[2-(trifluoromethyl)phenyl]methyl}methanamine |
| Molecular Weight: | 418.44 |
| Molecular Formula: | C17 H21 F3 N4 O3 S |
| Smiles: | CS(N1CCC(CC1)c1nc(CNCc2ccccc2C(F)(F)F)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4822 |
| logD: | 2.0474 |
| logSw: | -2.9939 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.822 |
| InChI Key: | IJTQACKXUAOFCT-UHFFFAOYSA-N |