5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
Chemical Structure Depiction of
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | E786-1929 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[(4-methylphenyl)methyl]thiophene-2-sulfonamide |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C20 H17 N3 O4 S2 |
| Smiles: | Cc1ccc(CNS(c2ccc(CN3C(c4cccnc4C3=O)=O)s2)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.209 |
| logD: | 2.2084 |
| logSw: | -3.0437 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.177 |
| InChI Key: | ZIRKYZDBHHOQJO-UHFFFAOYSA-N |