5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide
Chemical Structure Depiction of
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | E786-1949 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide |
| Molecular Weight: | 489.52 |
| Molecular Formula: | C21 H19 N3 O7 S2 |
| Smiles: | COc1cc(cc(c1OC)OC)NS(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2772 |
| logD: | 0.9413 |
| logSw: | -2.5653 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.046 |
| InChI Key: | KSDJWURLLVRPGY-UHFFFAOYSA-N |