ethyl 4-(2-{[2-(3,4-diethoxyphenyl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-{[2-(3,4-diethoxyphenyl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperazine-1-carboxylate
ethyl 4-(2-{[2-(3,4-diethoxyphenyl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C748-1340 |
| Compound Name: | ethyl 4-(2-{[2-(3,4-diethoxyphenyl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperazine-1-carboxylate |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C23 H31 N3 O6 |
| Smiles: | CCOC(N1CCN(CC1)C1=C(C(C1=O)=O)NCCc1ccc(c(c1)OCC)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.906 |
| logD: | 1.9056 |
| logSw: | -2.6631 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.901 |
| InChI Key: | XLQKZSMRJRGMOA-UHFFFAOYSA-N |