ethyl 1-{4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]benzene-1-sulfonyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]benzene-1-sulfonyl}piperidine-3-carboxylate
ethyl 1-{4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]benzene-1-sulfonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | E734-2531 |
| Compound Name: | ethyl 1-{4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]benzene-1-sulfonyl}piperidine-3-carboxylate |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C23 H25 N3 O6 S |
| Smiles: | CCOC(C1CCCN(C1)S(c1ccc(CCN2C(c3cccnc3C2=O)=O)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2997 |
| logD: | 1.2997 |
| logSw: | -2.4042 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 91.777 |
| InChI Key: | IYSNNNHHFPQQGF-KRWDZBQOSA-N |