N-(2,5-diethoxyphenyl)-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-diethoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
N-(2,5-diethoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | E786-2023 |
| Compound Name: | N-(2,5-diethoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]thiophene-2-sulfonamide |
| Molecular Weight: | 487.55 |
| Molecular Formula: | C22 H21 N3 O6 S2 |
| Smiles: | CCOc1ccc(c(c1)NS(c1ccc(CN2C(c3cccnc3C2=O)=O)s1)(=O)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.6995 |
| logD: | 2.2933 |
| logSw: | -3.4205 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.704 |
| InChI Key: | AIYRRJRSUHEYIH-UHFFFAOYSA-N |