1-(3-chloro-4-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]isoquinoline-4-carboxamide
1-(3-chloro-4-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-1751 |
| Compound Name: | 1-(3-chloro-4-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]isoquinoline-4-carboxamide |
| Molecular Weight: | 475.97 |
| Molecular Formula: | C27 H26 Cl N3 O3 |
| Smiles: | Cc1ccc(cc1[Cl])Nc1c2ccccc2c(cn1)C(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6508 |
| logD: | 5.6362 |
| logSw: | -5.9258 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.172 |
| InChI Key: | IOEFZMNVOVNEGO-UHFFFAOYSA-N |