ethyl {[4-(3,5-dimethylpiperidine-1-carbonyl)-2-nitrophenyl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-(3,5-dimethylpiperidine-1-carbonyl)-2-nitrophenyl]sulfanyl}acetate
ethyl {[4-(3,5-dimethylpiperidine-1-carbonyl)-2-nitrophenyl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K781-2116 |
| Compound Name: | ethyl {[4-(3,5-dimethylpiperidine-1-carbonyl)-2-nitrophenyl]sulfanyl}acetate |
| Molecular Weight: | 380.46 |
| Molecular Formula: | C18 H24 N2 O5 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(N1CC(C)CC(C)C1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5291 |
| logD: | 3.5291 |
| logSw: | -3.9919 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.993 |
| InChI Key: | VJGSAKUMAHZSPO-UHFFFAOYSA-N |