1-(4-benzylpiperidin-1-yl)-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-benzylpiperidin-1-yl)-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
1-(4-benzylpiperidin-1-yl)-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | C755-0263 |
| Compound Name: | 1-(4-benzylpiperidin-1-yl)-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 376.49 |
| Molecular Formula: | C18 H20 N2 O3 S2 |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(CSc1ccsc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0717 |
| logD: | 4.0717 |
| logSw: | -4.2443 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.538 |
| InChI Key: | KRVSYBRBPRHKKM-UHFFFAOYSA-N |