2-[(5-methylfuran-2-yl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
2-[(5-methylfuran-2-yl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
2-[(5-methylfuran-2-yl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Compound characteristics
Compound ID: | P773-1232 |
Compound Name: | 2-[(5-methylfuran-2-yl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid |
Molecular Weight: | 283.28 |
Molecular Formula: | C16 H13 N O4 |
Smiles: | Cc1ccc(CN2C=C(C(O)=O)c3ccccc3C2=O)o1 |
Stereo: | ACHIRAL |
logP: | 1.3497 |
logD: | -2.9551 |
logSw: | -2.2812 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.871 |
InChI Key: | IRIHRHJNTHBISO-UHFFFAOYSA-N |