N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | E912-0280 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzene-1-sulfonamide |
| Molecular Weight: | 481.48 |
| Molecular Formula: | C23 H19 N3 O7 S |
| Smiles: | COc1ccc(CN2C(c3cccnc3C2=O)=O)cc1S(NCc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.677 |
| logD: | 1.6769 |
| logSw: | -2.7551 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.905 |
| InChI Key: | HVDPXUVDHYPDMV-UHFFFAOYSA-N |