4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzene-1-sulfonamide
4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E734-2725 |
| Compound Name: | 4-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 437.47 |
| Molecular Formula: | C22 H19 N3 O5 S |
| Smiles: | COc1cccc(CNS(c2ccc(CN3C(c4cccnc4C3=O)=O)cc2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.0439 |
| logD: | 2.0437 |
| logSw: | -2.939 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.702 |
| InChI Key: | XHCAKSAULMFGNP-UHFFFAOYSA-N |