N-(3-chloro-4-fluorophenyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide
N-(3-chloro-4-fluorophenyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C128-0018 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide |
| Molecular Weight: | 421.86 |
| Molecular Formula: | C23 H17 Cl F N3 O2 |
| Smiles: | COc1ccc(cc1)Nc1c2ccccc2c(cn1)C(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5588 |
| logD: | 5.5478 |
| logSw: | -6.0196 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.292 |
| InChI Key: | KIHNEYJVCUMDRO-UHFFFAOYSA-N |