1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | C700-1509 |
| Compound Name: | 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 397.9 |
| Molecular Formula: | C16 H16 Cl N3 O3 S2 |
| Smiles: | C1CN(CCN1C(CSc1ccsc1[N+]([O-])=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.4524 |
| logD: | 3.4524 |
| logSw: | -3.7785 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.07 |
| InChI Key: | OKIKEBZNSQVXEJ-UHFFFAOYSA-N |