5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-[3-(methylsulfanyl)phenyl]benzene-1-sulfonamide
Chemical Structure Depiction of
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-[3-(methylsulfanyl)phenyl]benzene-1-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-[3-(methylsulfanyl)phenyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E912-0325 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-[3-(methylsulfanyl)phenyl]benzene-1-sulfonamide |
| Molecular Weight: | 469.54 |
| Molecular Formula: | C22 H19 N3 O5 S2 |
| Smiles: | COc1ccc(CN2C(c3cccnc3C2=O)=O)cc1S(Nc1cccc(c1)SC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2978 |
| logD: | 2.2727 |
| logSw: | -3.1109 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.68 |
| InChI Key: | DVRYRNSKORCBAP-UHFFFAOYSA-N |