ethyl 4-[(2-{[2-(4-benzylpiperazin-1-yl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(2-{[2-(4-benzylpiperazin-1-yl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate
ethyl 4-[(2-{[2-(4-benzylpiperazin-1-yl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C748-0341 |
| Compound Name: | ethyl 4-[(2-{[2-(4-benzylpiperazin-1-yl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C25 H35 N5 O4 |
| Smiles: | CCOC(N1CCC(CC1)NC1=C(C(C1=O)=O)NCCN1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.303 |
| logD: | 1.1631 |
| logSw: | -2.0499 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.792 |
| InChI Key: | JSVKDAATNVWXBC-UHFFFAOYSA-N |