ethyl 1-{1-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxo-2-[4-(propan-2-yl)anilino]ethyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{1-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxo-2-[4-(propan-2-yl)anilino]ethyl}piperidine-4-carboxylate
ethyl 1-{1-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxo-2-[4-(propan-2-yl)anilino]ethyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | C094-0169 |
| Compound Name: | ethyl 1-{1-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxo-2-[4-(propan-2-yl)anilino]ethyl}piperidine-4-carboxylate |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C26 H31 N3 O7 |
| Smiles: | CCOC(C1CCN(CC1)C(C(Nc1ccc(cc1)C(C)C)=O)c1cc2c(cc1[N+]([O-])=O)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7835 |
| logD: | 4.7632 |
| logSw: | -4.4005 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.304 |
| InChI Key: | QOZDZHMJXLMWHK-XMMPIXPASA-N |