isoquinolin-6-yl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
isoquinolin-6-yl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
isoquinolin-6-yl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-0131 |
| Compound Name: | isoquinolin-6-yl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C26 H18 N2 O4 |
| Smiles: | COc1cccc(c1)N1C=C(C(=O)Oc2ccc3cnccc3c2)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.6996 |
| logD: | 3.688 |
| logSw: | -4.0018 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.922 |
| InChI Key: | QQLLPFKHTVZCCF-UHFFFAOYSA-N |