1-oxo-2-[(pyridin-3-yl)methyl]-1,2-dihydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
1-oxo-2-[(pyridin-3-yl)methyl]-1,2-dihydroisoquinoline-4-carboxylic acid
1-oxo-2-[(pyridin-3-yl)methyl]-1,2-dihydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | Y042-2874 |
| Compound Name: | 1-oxo-2-[(pyridin-3-yl)methyl]-1,2-dihydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 280.28 |
| Molecular Formula: | C16 H12 N2 O3 |
| Smiles: | C(c1cccnc1)N1C=C(C(O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 0.116 |
| logD: | -4.1888 |
| logSw: | -1.5391 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.126 |
| InChI Key: | OTNAIBHPYIMBOD-UHFFFAOYSA-N |