N-(3,5-dimethoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide
N-(3,5-dimethoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E912-0250 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 483.5 |
| Molecular Formula: | C23 H21 N3 O7 S |
| Smiles: | COc1cc(cc(c1)OC)NS(c1cc(CN2C(c3cccnc3C2=O)=O)ccc1OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8366 |
| logD: | 1.1803 |
| logSw: | -2.7783 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.768 |
| InChI Key: | MBTISRBPCGLXGJ-UHFFFAOYSA-N |