1-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)isoquinoline-4-carboxamide
1-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-2136 |
| Compound Name: | 1-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)isoquinoline-4-carboxamide |
| Molecular Weight: | 422.31 |
| Molecular Formula: | C23 H17 Cl2 N3 O |
| Smiles: | Cc1ccc(cc1[Cl])Nc1c2ccccc2c(cn1)C(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.9901 |
| logD: | 6.9863 |
| logSw: | -6.4181 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.748 |
| InChI Key: | RPYMXYLRJQAETR-UHFFFAOYSA-N |