N-(3-chloro-4-fluorophenyl)-1-(4-chloro-2-methoxyanilino)isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-1-(4-chloro-2-methoxyanilino)isoquinoline-4-carboxamide
N-(3-chloro-4-fluorophenyl)-1-(4-chloro-2-methoxyanilino)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-2179 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-1-(4-chloro-2-methoxyanilino)isoquinoline-4-carboxamide |
| Molecular Weight: | 456.3 |
| Molecular Formula: | C23 H16 Cl2 F N3 O2 |
| Smiles: | COc1cc(ccc1Nc1c2ccccc2c(cn1)C(Nc1ccc(c(c1)[Cl])F)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.5515 |
| logD: | 6.435 |
| logSw: | -6.2751 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.68 |
| InChI Key: | KJZCQLQXIZJTNL-UHFFFAOYSA-N |