5-[(3S)-1,2-dithiolan-3-yl]-1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}pentan-1-one
Chemical Structure Depiction of
5-[(3S)-1,2-dithiolan-3-yl]-1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}pentan-1-one
5-[(3S)-1,2-dithiolan-3-yl]-1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}pentan-1-one
Compound characteristics
| Compound ID: | Y043-3884 |
| Compound Name: | 5-[(3S)-1,2-dithiolan-3-yl]-1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}pentan-1-one |
| Molecular Weight: | 419.53 |
| Molecular Formula: | C18 H24 F3 N3 O S2 |
| Smiles: | C(CC[C@H]1CCSS1)CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.2067 |
| logD: | 4.2067 |
| logSw: | -4.093 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 28.7787 |
| InChI Key: | MXXMYDPHNLAADZ-HNNXBMFYSA-N |