2-chloro-5-methylphenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
2-chloro-5-methylphenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
2-chloro-5-methylphenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-1846 |
| Compound Name: | 2-chloro-5-methylphenyl 1-oxo-2-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 457.84 |
| Molecular Formula: | C24 H15 Cl F3 N O3 |
| Smiles: | Cc1ccc(c(c1)OC(C1=CN(C(c2ccccc12)=O)c1cccc(c1)C(F)(F)F)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3052 |
| logD: | 5.3052 |
| logSw: | -5.8695 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.219 |
| InChI Key: | LDEJFVUKEQYSQU-UHFFFAOYSA-N |