N-[2-(3,4-diethoxyphenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
N-[2-(3,4-diethoxyphenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-1567 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide |
| Molecular Weight: | 485.58 |
| Molecular Formula: | C29 H31 N3 O4 |
| Smiles: | CCOc1ccc(CCNC(c2cnc(c3ccccc23)Nc2ccccc2OC)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.8218 |
| logD: | 4.4886 |
| logSw: | -4.4385 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.264 |
| InChI Key: | BLUBJGMIVYNZBU-UHFFFAOYSA-N |