1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | C755-0250 |
| Compound Name: | 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 411.93 |
| Molecular Formula: | C17 H18 Cl N3 O3 S2 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CSc1ccsc1[N+]([O-])=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0187 |
| logD: | 4.0187 |
| logSw: | -4.386 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.769 |
| InChI Key: | PMOHVCODQMBSET-UHFFFAOYSA-N |