N-(3,5-dimethoxyphenyl)-4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]benzene-1-sulfonamide
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]benzene-1-sulfonamide
N-(3,5-dimethoxyphenyl)-4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]benzene-1-sulfonamide
Compound characteristics
Compound ID: | E734-2647 |
Compound Name: | N-(3,5-dimethoxyphenyl)-4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]benzene-1-sulfonamide |
Molecular Weight: | 453.47 |
Molecular Formula: | C22 H19 N3 O6 S |
Smiles: | COc1cc(cc(c1)OC)NS(c1ccc(CN2C(c3cccnc3C2=O)=O)cc1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 1.9852 |
logD: | 1.329 |
logSw: | -3.0064 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 95.137 |
InChI Key: | AYPAZROQQIPMEW-UHFFFAOYSA-N |