5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]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-[(5-methylfuran-2-yl)methyl]benzene-1-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E912-0363 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C21 H19 N3 O6 S |
| Smiles: | [H]N(Cc1ccc(C)o1)S(c1cc(CN2C(c3cccnc3C2=O)=O)ccc1OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.593 |
| logD: | 1.5929 |
| logSw: | -2.653 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.052 |
| InChI Key: | BCZHYRSLVLVNSI-UHFFFAOYSA-N |