4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]-N-[3-(methylsulfanyl)phenyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]-N-[3-(methylsulfanyl)phenyl]benzene-1-sulfonamide
4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]-N-[3-(methylsulfanyl)phenyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E734-2514 |
| Compound Name: | 4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]-N-[3-(methylsulfanyl)phenyl]benzene-1-sulfonamide |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C22 H19 N3 O4 S2 |
| Smiles: | CSc1cccc(c1)NS(c1ccc(CCN2C(c3cccnc3C2=O)=O)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4879 |
| logD: | 2.4628 |
| logSw: | -3.0733 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.028 |
| InChI Key: | AQCYPWFPWHGVTK-UHFFFAOYSA-N |