ethyl 4-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]piperazine-1-carboxylate
ethyl 4-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 4239-0364 |
| Compound Name: | ethyl 4-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]piperazine-1-carboxylate |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C17 H24 N4 O6 |
| Smiles: | CCOC(N1CCN(CCC(Nc2cc(ccc2OC)[N+]([O-])=O)=O)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.356 |
| logD: | 1.2856 |
| logSw: | -2.4559 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.193 |
| InChI Key: | KDGYGCSYDXAFJX-UHFFFAOYSA-N |