2-[(2-fluorophenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
2-[(2-fluorophenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
2-[(2-fluorophenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Compound characteristics
Compound ID: | P773-1238 |
Compound Name: | 2-[(2-fluorophenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid |
Molecular Weight: | 297.28 |
Molecular Formula: | C17 H12 F N O3 |
Smiles: | C(c1ccccc1F)N1C=C(C(O)=O)c2ccccc2C1=O |
Stereo: | ACHIRAL |
logP: | 1.9041 |
logD: | -2.4007 |
logSw: | -2.5585 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.608 |
InChI Key: | YSLBDKRVDBBHKR-UHFFFAOYSA-N |