ethyl 4-[(2-{[3-(azepan-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(2-{[3-(azepan-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate
ethyl 4-[(2-{[3-(azepan-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C748-0290 |
| Compound Name: | ethyl 4-[(2-{[3-(azepan-1-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]piperidine-1-carboxylate |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C21 H34 N4 O4 |
| Smiles: | CCOC(N1CCC(CC1)NC1=C(C(C1=O)=O)NCCCN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6175 |
| logD: | -0.9983 |
| logSw: | -1.7842 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.582 |
| InChI Key: | WKWBHLNFGUONDQ-UHFFFAOYSA-N |