1-{4-[5-(3-nitrophenyl)furan-2-carbothioyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[5-(3-nitrophenyl)furan-2-carbothioyl]piperazin-1-yl}ethan-1-one
1-{4-[5-(3-nitrophenyl)furan-2-carbothioyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | 3341-0021 |
| Compound Name: | 1-{4-[5-(3-nitrophenyl)furan-2-carbothioyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C17 H17 N3 O4 S |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(c2cccc(c2)[N+]([O-])=O)o1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0261 |
| logD: | 3.0261 |
| logSw: | -3.2811 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.163 |
| InChI Key: | RCKNGKVUCKSEKR-UHFFFAOYSA-N |