N-(2-chloro-4-fluorophenyl)-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-fluorophenyl)-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide
N-(2-chloro-4-fluorophenyl)-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-1668 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide |
| Molecular Weight: | 440.3 |
| Molecular Formula: | C23 H16 Cl2 F N3 O |
| Smiles: | Cc1ccc(cc1[Cl])Nc1c2ccccc2c(cn1)C(Nc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8679 |
| logD: | 6.8568 |
| logSw: | -6.4075 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.05 |
| InChI Key: | JXWHGIFRCOUTNZ-UHFFFAOYSA-N |