6-{[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-fluorophenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Chemical Structure Depiction of
6-{[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-fluorophenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
6-{[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-fluorophenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
Compound characteristics
| Compound ID: | E786-2150 |
| Compound Name: | 6-{[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-4-fluorophenyl]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C23 H18 F N3 O4 S |
| Smiles: | C1CN(Cc2ccccc12)S(c1cc(ccc1CN1C(c2cccnc2C1=O)=O)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4502 |
| logD: | 2.4502 |
| logSw: | -2.9941 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.773 |
| InChI Key: | NNWJTCOZXUNLIL-UHFFFAOYSA-N |