4-(ethoxycarbonyl)phenyl 2-(3-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
4-(ethoxycarbonyl)phenyl 2-(3-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
4-(ethoxycarbonyl)phenyl 2-(3-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-1776 |
| Compound Name: | 4-(ethoxycarbonyl)phenyl 2-(3-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 431.42 |
| Molecular Formula: | C25 H18 F N O5 |
| Smiles: | CCOC(c1ccc(cc1)OC(C1=CN(C(c2ccccc12)=O)c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3783 |
| logD: | 4.3783 |
| logSw: | -4.3488 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.886 |
| InChI Key: | QSWUQDPUFYBASN-UHFFFAOYSA-N |