2-[(2-nitrothiophen-3-yl)sulfanyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-[(2-nitrothiophen-3-yl)sulfanyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
2-[(2-nitrothiophen-3-yl)sulfanyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | C700-0960 |
| Compound Name: | 2-[(2-nitrothiophen-3-yl)sulfanyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 364.44 |
| Molecular Formula: | C15 H16 N4 O3 S2 |
| Smiles: | C1CN(CCN1C(CSc1ccsc1[N+]([O-])=O)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 2.4037 |
| logD: | 2.3949 |
| logSw: | -2.3812 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.581 |
| InChI Key: | BTEBOJHGQNHJRI-UHFFFAOYSA-N |