1-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)isoquinoline-4-carboxamide
1-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-1791 |
| Compound Name: | 1-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)isoquinoline-4-carboxamide |
| Molecular Weight: | 447.92 |
| Molecular Formula: | C25 H22 Cl N3 O3 |
| Smiles: | Cc1ccc(cc1[Cl])Nc1c2ccccc2c(cn1)C(Nc1cc(ccc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1181 |
| logD: | 6.1141 |
| logSw: | -6.1272 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.224 |
| InChI Key: | NCDRDMGKGWJWHJ-UHFFFAOYSA-N |