4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]-N-[(3-methoxyphenyl)methyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]-N-[(3-methoxyphenyl)methyl]benzene-1-sulfonamide
4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]-N-[(3-methoxyphenyl)methyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E734-2520 |
| Compound Name: | 4-[2-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)ethyl]-N-[(3-methoxyphenyl)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C23 H21 N3 O5 S |
| Smiles: | COc1cccc(CNS(c2ccc(CCN3C(c4cccnc4C3=O)=O)cc2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.0855 |
| logD: | 2.0852 |
| logSw: | -2.9217 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.681 |
| InChI Key: | BQDKUTZPENGGHV-UHFFFAOYSA-N |