ethyl ({4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-nitrophenyl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-nitrophenyl}sulfanyl)acetate
ethyl ({4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-nitrophenyl}sulfanyl)acetate
Compound characteristics
| Compound ID: | K781-2156 |
| Compound Name: | ethyl ({4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-nitrophenyl}sulfanyl)acetate |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C22 H25 N3 O6 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3873 |
| logD: | 3.3873 |
| logSw: | -3.9419 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.93 |
| InChI Key: | BRQYMMKSSLQIEQ-UHFFFAOYSA-N |