ethyl ({4-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]-2-nitrophenyl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({4-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]-2-nitrophenyl}sulfanyl)acetate
ethyl ({4-[3-methyl-4-(3-methylphenyl)piperazine-1-sulfonyl]-2-nitrophenyl}sulfanyl)acetate
Compound characteristics
| Compound ID: | K781-2624 |
| Compound Name: | ethyl ({4-[3-methyl-4-(3-methylphenyl)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(C(C)C1)c1cccc(C)c1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7116 |
| logD: | 4.7116 |
| logSw: | -4.4036 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 87.667 |
| InChI Key: | GSTASXKGOKNAKD-KRWDZBQOSA-N |