1-(3-chloro-4-methylanilino)-N-(2,4-difluorophenyl)isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-methylanilino)-N-(2,4-difluorophenyl)isoquinoline-4-carboxamide
1-(3-chloro-4-methylanilino)-N-(2,4-difluorophenyl)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-1738 |
| Compound Name: | 1-(3-chloro-4-methylanilino)-N-(2,4-difluorophenyl)isoquinoline-4-carboxamide |
| Molecular Weight: | 423.85 |
| Molecular Formula: | C23 H16 Cl F2 N3 O |
| Smiles: | Cc1ccc(cc1[Cl])Nc1c2ccccc2c(cn1)C(Nc1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3506 |
| logD: | 6.3395 |
| logSw: | -6.1907 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.05 |
| InChI Key: | QVZFKYKMQDCFEN-UHFFFAOYSA-N |