ethyl ({4-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-2-nitrophenyl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({4-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-2-nitrophenyl}sulfanyl)acetate
ethyl ({4-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-2-nitrophenyl}sulfanyl)acetate
Compound characteristics
| Compound ID: | K781-2617 |
| Compound Name: | ethyl ({4-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-2-nitrophenyl}sulfanyl)acetate |
| Molecular Weight: | 493.6 |
| Molecular Formula: | C22 H27 N3 O6 S2 |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)S(N1CCN(CC1)c1cc(C)ccc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0191 |
| logD: | 5.0191 |
| logSw: | -4.667 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 88.148 |
| InChI Key: | YUISPRKTMXMHOT-UHFFFAOYSA-N |