ethyl 1-(2-{[3-(azepan-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(2-{[3-(azepan-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-3-carboxylate
ethyl 1-(2-{[3-(azepan-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-3-carboxylate
Compound characteristics
| Compound ID: | C738-0287 |
| Compound Name: | ethyl 1-(2-{[3-(azepan-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-3-carboxylate |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C21 H33 N3 O4 |
| Smiles: | CCOC(C1CCCN(C1)C1=C(C(C1=O)=O)NCCCN1CCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0606 |
| logD: | -0.5553 |
| logSw: | -2.326 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.701 |
| InChI Key: | DMIHMBBFRJKIEG-INIZCTEOSA-N |