methyl {[4-(4-methylpiperidine-1-sulfonyl)-2-nitrophenyl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-(4-methylpiperidine-1-sulfonyl)-2-nitrophenyl]sulfanyl}acetate
methyl {[4-(4-methylpiperidine-1-sulfonyl)-2-nitrophenyl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K783-4727 |
| Compound Name: | methyl {[4-(4-methylpiperidine-1-sulfonyl)-2-nitrophenyl]sulfanyl}acetate |
| Molecular Weight: | 388.46 |
| Molecular Formula: | C15 H20 N2 O6 S2 |
| Smiles: | CC1CCN(CC1)S(c1ccc(c(c1)[N+]([O-])=O)SCC(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0226 |
| logD: | 3.0226 |
| logSw: | -3.6528 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 85.609 |
| InChI Key: | YVSKVPIWGQVHMD-UHFFFAOYSA-N |