ethyl 1-(3,4,5-trimethoxyanilino)isoquinoline-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(3,4,5-trimethoxyanilino)isoquinoline-4-carboxylate
ethyl 1-(3,4,5-trimethoxyanilino)isoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G780-0413 |
| Compound Name: | ethyl 1-(3,4,5-trimethoxyanilino)isoquinoline-4-carboxylate |
| Molecular Weight: | 382.41 |
| Molecular Formula: | C21 H22 N2 O5 |
| Smiles: | CCOC(c1cnc(c2ccccc12)Nc1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7588 |
| logD: | 3.7587 |
| logSw: | -3.8582 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.388 |
| InChI Key: | PGGRYWJRBMPIEI-UHFFFAOYSA-N |