ethyl 1-(2-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(2-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-3-carboxylate
ethyl 1-(2-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-3-carboxylate
Compound characteristics
| Compound ID: | C738-0270 |
| Compound Name: | ethyl 1-(2-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}-3,4-dioxocyclobut-1-en-1-yl)piperidine-3-carboxylate |
| Molecular Weight: | 400.43 |
| Molecular Formula: | C21 H24 N2 O6 |
| Smiles: | CCOC(C1CCCN(C1)C1=C(C(C1=O)=O)NCC1COc2ccccc2O1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2558 |
| logD: | 2.2555 |
| logSw: | -2.5612 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.225 |
| InChI Key: | RVPAVGPXIAKIDU-UHFFFAOYSA-N |