ethyl 4-[(2-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(2-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate
ethyl 4-[(2-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C748-0300 |
| Compound Name: | ethyl 4-[(2-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C21 H35 N5 O4 |
| Smiles: | CCN1CCN(CCCNC2=C(C(C2=O)=O)NC2CCN(CC2)C(=O)OCC)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.2727 |
| logD: | -0.6755 |
| logSw: | -0.9556 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.788 |
| InChI Key: | MDZVLUPXYGJYRX-UHFFFAOYSA-N |