ethyl 4-{[2-(azepan-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[2-(azepan-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}piperidine-1-carboxylate
ethyl 4-{[2-(azepan-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C748-0076 |
| Compound Name: | ethyl 4-{[2-(azepan-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}piperidine-1-carboxylate |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C18 H27 N3 O4 |
| Smiles: | CCOC(N1CCC(CC1)NC1=C(C(C1=O)=O)N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3851 |
| logD: | 2.3838 |
| logSw: | -2.3798 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.695 |
| InChI Key: | HONLJJPIEUEWAY-UHFFFAOYSA-N |