2-[(2-nitrothiophen-3-yl)sulfanyl]-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-[(2-nitrothiophen-3-yl)sulfanyl]-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one
2-[(2-nitrothiophen-3-yl)sulfanyl]-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | C797-0014 |
| Compound Name: | 2-[(2-nitrothiophen-3-yl)sulfanyl]-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 467.56 |
| Molecular Formula: | C20 H25 N3 O6 S2 |
| Smiles: | COc1ccc(CN2CCN(CC2)C(CSc2ccsc2[N+]([O-])=O)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.3649 |
| logD: | 2.2283 |
| logSw: | -2.591 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.415 |
| InChI Key: | ZZXAAKVYTVANAU-UHFFFAOYSA-N |