2-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenyl 4-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
2-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenyl 4-nitrobenzene-1-sulfonate
2-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenyl 4-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8009-9094 |
| Compound Name: | 2-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenyl 4-nitrobenzene-1-sulfonate |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C21 H24 N2 O6 S2 |
| Smiles: | CCOc1cc(ccc1OS(c1ccc(cc1)[N+]([O-])=O)(=O)=O)C(N1CCC(C)CC1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.4609 |
| logD: | 4.4609 |
| logSw: | -4.3768 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 78.627 |
| InChI Key: | BOMVLYJMIWOBEP-UHFFFAOYSA-N |