N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-0807 |
| Compound Name: | N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 496.97 |
| Molecular Formula: | C27 H26 Cl F N2 O4 |
| Smiles: | Cc1cc(c(cc1[Cl])OC)NC(C1C(c2ccc(cc2)F)N(CCOC)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1906 |
| logD: | 5.0934 |
| logSw: | -5.4969 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.267 |
| InChI Key: | DOUTWIVYYLRMRJ-UHFFFAOYSA-N |