N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-difluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-difluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-difluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | K937-0585 |
| Compound Name: | N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-difluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 454.86 |
| Molecular Formula: | C24 H17 Cl F2 N2 O3 |
| Smiles: | Cc1cc(c(cc1[Cl])OC)NC(C1=CN(C(c2ccccc12)=O)c1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6563 |
| logD: | 4.5073 |
| logSw: | -4.9756 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.477 |
| InChI Key: | XXLCFQARVCKQBB-UHFFFAOYSA-N |