N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C138-0768 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C27 H27 N3 O4 |
| Smiles: | COc1ccccc1Nc1c2ccccc2c(cn1)C(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3306 |
| logD: | 3.9974 |
| logSw: | -4.2107 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.105 |
| InChI Key: | LGUMZICTZLVUJS-UHFFFAOYSA-N |