ethyl 1-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]isoquinoline-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]isoquinoline-4-carboxylate
ethyl 1-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]isoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G780-0416 |
| Compound Name: | ethyl 1-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]isoquinoline-4-carboxylate |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C20 H18 N2 O4 |
| Smiles: | CCOC(c1cnc(c2ccccc12)Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3508 |
| logD: | 3.3507 |
| logSw: | -3.4425 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.233 |
| InChI Key: | ZTVJTAWISLXAJO-UHFFFAOYSA-N |