2-[(3-methylphenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
2-[(3-methylphenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
2-[(3-methylphenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Compound characteristics
Compound ID: | P773-1250 |
Compound Name: | 2-[(3-methylphenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid |
Molecular Weight: | 293.32 |
Molecular Formula: | C18 H15 N O3 |
Smiles: | Cc1cccc(CN2C=C(C(O)=O)c3ccccc3C2=O)c1 |
Stereo: | ACHIRAL |
logP: | 2.0757 |
logD: | -2.229 |
logSw: | -2.7538 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.608 |
InChI Key: | UGYUWXXMGLCGLL-UHFFFAOYSA-N |