ethyl 1-(3-chloro-4-fluoroanilino)isoquinoline-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(3-chloro-4-fluoroanilino)isoquinoline-4-carboxylate
ethyl 1-(3-chloro-4-fluoroanilino)isoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G780-0403 |
| Compound Name: | ethyl 1-(3-chloro-4-fluoroanilino)isoquinoline-4-carboxylate |
| Molecular Weight: | 344.77 |
| Molecular Formula: | C18 H14 Cl F N2 O2 |
| Smiles: | CCOC(c1cnc(c2ccccc12)Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1084 |
| logD: | 5.1083 |
| logSw: | -5.3961 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.41 |
| InChI Key: | PGXKLXPHOSAQCL-UHFFFAOYSA-N |