5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-(4-methoxyphenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-(4-methoxyphenyl)benzene-1-sulfonamide
5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-(4-methoxyphenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E912-0231 |
| Compound Name: | 5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-(4-methoxyphenyl)benzene-1-sulfonamide |
| Molecular Weight: | 453.47 |
| Molecular Formula: | C22 H19 N3 O6 S |
| Smiles: | COc1ccc(cc1)NS(c1cc(CN2C(c3cccnc3C2=O)=O)ccc1OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8523 |
| logD: | 1.818 |
| logSw: | -2.8786 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.224 |
| InChI Key: | VNFQWEVNJYBVSD-UHFFFAOYSA-N |