N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-0725 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 512.97 |
| Molecular Formula: | C27 H26 Cl F N2 O5 |
| Smiles: | COCCN1C(C(C(Nc2cc(c(cc2OC)OC)[Cl])=O)c2ccccc2C1=O)c1ccc(cc1)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5384 |
| logD: | 4.244 |
| logSw: | -4.6367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.898 |
| InChI Key: | RUJGTXPKCSHMIA-UHFFFAOYSA-N |