2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | C066-5609 |
| Compound Name: | 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 405.42 |
| Molecular Formula: | C24 H20 F N O4 |
| Smiles: | COc1ccc(cc1)C1C(C(O)=O)c2ccccc2C(N1Cc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4902 |
| logD: | 0.7685 |
| logSw: | -3.5605 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.603 |
| InChI Key: | HXLVJBPGOYRQLH-UHFFFAOYSA-N |