6-{[3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Chemical Structure Depiction of
6-{[3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
6-{[3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Compound characteristics
| Compound ID: | E912-0290 |
| Compound Name: | 6-{[3-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-methoxyphenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C24 H21 N3 O5 S |
| Smiles: | COc1ccc(CN2C(c3cccnc3C2=O)=O)cc1S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2244 |
| logD: | 2.2244 |
| logSw: | -2.8926 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.404 |
| InChI Key: | YVKUNOMJOMJPPJ-UHFFFAOYSA-N |