5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[(4-ethoxyphenyl)methyl]-2-methoxybenzene-1-sulfonamide
Chemical Structure Depiction of
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[(4-ethoxyphenyl)methyl]-2-methoxybenzene-1-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[(4-ethoxyphenyl)methyl]-2-methoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | K906-5311 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[(4-ethoxyphenyl)methyl]-2-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C24 H23 N3 O6 S |
| Smiles: | CCOc1ccc(CNS(c2cc(CN3C(c4cccnc4C3=O)=O)ccc2OC)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1328 |
| logD: | 2.1327 |
| logSw: | -3.0635 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.913 |
| InChI Key: | NVKCPLGCDUYPGW-UHFFFAOYSA-N |