5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methyl]benzene-1-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E912-0269 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C23 H21 N3 O6 S |
| Smiles: | COc1ccc(CNS(c2cc(CN3C(c4cccnc4C3=O)=O)ccc2OC)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7462 |
| logD: | 1.7462 |
| logSw: | -2.7649 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.333 |
| InChI Key: | JMIWJOQFEIWONN-UHFFFAOYSA-N |