1-oxo-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
1-oxo-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carboxylic acid
1-oxo-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | Y042-3061 |
| Compound Name: | 1-oxo-2-(3,4,5-trifluorophenyl)-1,2-dihydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 319.24 |
| Molecular Formula: | C16 H8 F3 N O3 |
| Smiles: | C1=C(C(O)=O)c2ccccc2C(N1c1cc(c(c(c1)F)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9945 |
| logD: | -3.9875 |
| logSw: | -2.3247 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.162 |
| InChI Key: | RZDVOYOPIOZINZ-UHFFFAOYSA-N |