N-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide
N-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-1739 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide |
| Molecular Weight: | 452.34 |
| Molecular Formula: | C24 H19 Cl2 N3 O2 |
| Smiles: | Cc1ccc(cc1[Cl])Nc1c2ccccc2c(cn1)C(Nc1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.6876 |
| logD: | 6.6807 |
| logSw: | -6.329 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.68 |
| InChI Key: | JRVGDAVBBBLABW-UHFFFAOYSA-N |