1-(3-chloro-4-methylanilino)-N-[(4-fluorophenyl)methyl]isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-methylanilino)-N-[(4-fluorophenyl)methyl]isoquinoline-4-carboxamide
1-(3-chloro-4-methylanilino)-N-[(4-fluorophenyl)methyl]isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-1748 |
| Compound Name: | 1-(3-chloro-4-methylanilino)-N-[(4-fluorophenyl)methyl]isoquinoline-4-carboxamide |
| Molecular Weight: | 419.88 |
| Molecular Formula: | C24 H19 Cl F N3 O |
| Smiles: | Cc1ccc(cc1[Cl])Nc1c2ccccc2c(cn1)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2293 |
| logD: | 6.2035 |
| logSw: | -6.0449 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.07 |
| InChI Key: | VEWPSNUHBJJLBF-UHFFFAOYSA-N |