1-{[(2-nitrothiophen-3-yl)sulfanyl]acetyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{[(2-nitrothiophen-3-yl)sulfanyl]acetyl}piperidine-4-carboxamide
1-{[(2-nitrothiophen-3-yl)sulfanyl]acetyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C797-0011 |
| Compound Name: | 1-{[(2-nitrothiophen-3-yl)sulfanyl]acetyl}piperidine-4-carboxamide |
| Molecular Weight: | 329.39 |
| Molecular Formula: | C12 H15 N3 O4 S2 |
| Smiles: | C1CN(CCC1C(N)=O)C(CSc1ccsc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4805 |
| logD: | 0.4805 |
| logSw: | -1.8935 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.869 |
| InChI Key: | IJQWGRULBDIROJ-UHFFFAOYSA-N |