ethyl 1-[2-(cyclohexylamino)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxoethyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(cyclohexylamino)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxoethyl]piperidine-4-carboxylate
ethyl 1-[2-(cyclohexylamino)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxoethyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | C094-2364 |
| Compound Name: | ethyl 1-[2-(cyclohexylamino)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxoethyl]piperidine-4-carboxylate |
| Molecular Weight: | 461.51 |
| Molecular Formula: | C23 H31 N3 O7 |
| Smiles: | CCOC(C1CCN(CC1)C(C(NC1CCCCC1)=O)c1cc2c(cc1[N+]([O-])=O)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5154 |
| logD: | 2.4425 |
| logSw: | -3.7974 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.352 |
| InChI Key: | RBNGDTXOUVKRPL-OAQYLSRUSA-N |