1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-[(3S)-1,2-dithiolan-3-yl]pentan-1-one
Chemical Structure Depiction of
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-[(3S)-1,2-dithiolan-3-yl]pentan-1-one
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-[(3S)-1,2-dithiolan-3-yl]pentan-1-one
Compound characteristics
| Compound ID: | Y043-2961 |
| Compound Name: | 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-[(3S)-1,2-dithiolan-3-yl]pentan-1-one |
| Molecular Weight: | 389.58 |
| Molecular Formula: | C20 H27 N3 O S2 |
| Smiles: | C(CC[C@H]1CCSS1)CC(N1CCC(CC1)c1nc2ccccc2[nH]1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.8285 |
| logD: | 3.8214 |
| logSw: | -3.9306 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.937 |
| InChI Key: | QZDUAAIEIBRLDQ-INIZCTEOSA-N |