ethyl 4-{4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzoyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzoyl}piperazine-1-carboxylate
ethyl 4-{4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzoyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K781-2776 |
| Compound Name: | ethyl 4-{4-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-nitrobenzoyl}piperazine-1-carboxylate |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C18 H23 N3 O7 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1859 |
| logD: | 2.1859 |
| logSw: | -2.638 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 92.906 |
| InChI Key: | AGXFRGDLOPLGKI-UHFFFAOYSA-N |