N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1373 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 422.84 |
| Molecular Formula: | C23 H16 Cl F N2 O3 |
| Smiles: | COc1ccc(cc1)N1C=C(C(Nc2ccc(c(c2)[Cl])F)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.2548 |
| logD: | 3.8262 |
| logSw: | -4.6062 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.389 |
| InChI Key: | PVYQTZKZMZFKMX-UHFFFAOYSA-N |