N-(3-chloro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(3-chloro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-1400 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 545.01 |
| Molecular Formula: | C31 H26 Cl F N2 O4 |
| Smiles: | COc1ccc(cc1)C1C(C(Nc2ccc(c(c2)[Cl])OC)=O)c2ccccc2C(N1Cc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8601 |
| logD: | 5.8453 |
| logSw: | -5.9605 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.917 |
| InChI Key: | QKSRMXYZWPCRNU-UHFFFAOYSA-N |