ethyl 1-(2-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(2-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate
ethyl 1-(2-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | C667-0410 |
| Compound Name: | ethyl 1-(2-{[3-(4-benzylpiperazin-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate |
| Molecular Weight: | 468.6 |
| Molecular Formula: | C26 H36 N4 O4 |
| Smiles: | CCOC(C1CCN(CC1)C1=C(C(C1=O)=O)NCCCN1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.946 |
| logD: | 1.1372 |
| logSw: | -2.4159 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.977 |
| InChI Key: | CDRCAYDFONAVOW-UHFFFAOYSA-N |