1-(4-chloro-2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(4-chloro-2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide
1-(4-chloro-2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-2181 |
| Compound Name: | 1-(4-chloro-2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide |
| Molecular Weight: | 471.87 |
| Molecular Formula: | C24 H17 Cl F3 N3 O2 |
| Smiles: | COc1cc(ccc1Nc1c2ccccc2c(cn1)C(Nc1ccc(cc1)C(F)(F)F)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.6941 |
| logD: | 6.585 |
| logSw: | -6.3619 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.68 |
| InChI Key: | VWNCDEOPYUIQFK-UHFFFAOYSA-N |