ethyl 1-(2-{[2-(azepan-1-yl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(2-{[2-(azepan-1-yl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate
ethyl 1-(2-{[2-(azepan-1-yl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | C667-0376 |
| Compound Name: | ethyl 1-(2-{[2-(azepan-1-yl)ethyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-4-carboxylate |
| Molecular Weight: | 377.48 |
| Molecular Formula: | C20 H31 N3 O4 |
| Smiles: | CCOC(C1CCN(CC1)C1=C(C(C1=O)=O)NCCN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0141 |
| logD: | 0.7729 |
| logSw: | -2.3236 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.768 |
| InChI Key: | PGWBTIYIGZFHNZ-UHFFFAOYSA-N |