ethyl {[4-(4-methylpiperidine-1-sulfonyl)-2-nitrophenyl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-(4-methylpiperidine-1-sulfonyl)-2-nitrophenyl]sulfanyl}acetate
ethyl {[4-(4-methylpiperidine-1-sulfonyl)-2-nitrophenyl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K783-4263 |
| Compound Name: | ethyl {[4-(4-methylpiperidine-1-sulfonyl)-2-nitrophenyl]sulfanyl}acetate |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C16 H22 N2 O6 S2 |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)S(N1CCC(C)CC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6137 |
| logD: | 3.6137 |
| logSw: | -3.9321 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 85.189 |
| InChI Key: | GGSWILAJSKFMBR-UHFFFAOYSA-N |