N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]benzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]benzene-1-sulfonamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E734-2648 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C24 H23 N3 O6 S |
| Smiles: | COc1ccc(CCNS(c2ccc(CN3C(c4cccnc4C3=O)=O)cc2)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.6296 |
| logD: | 1.6296 |
| logSw: | -2.7669 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.261 |
| InChI Key: | LTWCEHJMRPFKBG-UHFFFAOYSA-N |