ethyl 4-{4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzamido}piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzamido}piperidine-1-carboxylate
ethyl 4-{4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzamido}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | K781-2119 |
| Compound Name: | ethyl 4-{4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzamido}piperidine-1-carboxylate |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C19 H25 N3 O7 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(NC1CCN(CC1)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7031 |
| logD: | 2.7031 |
| logSw: | -3.1531 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.396 |
| InChI Key: | LLPATFSDIVBUFQ-UHFFFAOYSA-N |