ethyl 4-[(2-{[2-(azepan-1-yl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(2-{[2-(azepan-1-yl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate
ethyl 4-[(2-{[2-(azepan-1-yl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C748-0292 |
| Compound Name: | ethyl 4-[(2-{[2-(azepan-1-yl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C20 H32 N4 O4 |
| Smiles: | CCOC(N1CCC(CC1)NC1=C(C(C1=O)=O)NCCN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4943 |
| logD: | 0.2531 |
| logSw: | -1.7175 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.582 |
| InChI Key: | KJDNECBVZLIYFY-UHFFFAOYSA-N |