1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | C755-0254 |
| Compound Name: | 1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C18 H21 N3 O3 S2 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(CSc1ccsc1[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6474 |
| logD: | 3.6473 |
| logSw: | -3.7295 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.288 |
| InChI Key: | IXYQUOLJDIQWRN-AWEZNQCLSA-N |