N-(2-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(2-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-1409 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 532.97 |
| Molecular Formula: | C30 H23 Cl F2 N2 O3 |
| Smiles: | COc1ccc(cc1)C1C(C(Nc2ccc(cc2[Cl])F)=O)c2ccccc2C(N1Cc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0812 |
| logD: | 5.7703 |
| logSw: | -6.0664 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.588 |
| InChI Key: | HUJQDZYJHWSKJX-UHFFFAOYSA-N |