N-(2,5-dimethoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
N-(2,5-dimethoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | E786-1958 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C20 H17 N3 O6 S2 |
| Smiles: | COc1ccc(c(c1)NS(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.8905 |
| logD: | 1.4717 |
| logSw: | -2.9561 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.545 |
| InChI Key: | QROKFMVZZRBDFX-UHFFFAOYSA-N |