propyl 2-(3-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
propyl 2-(3-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
propyl 2-(3-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C066-5561 |
| Compound Name: | propyl 2-(3-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 341.79 |
| Molecular Formula: | C19 H16 Cl N O3 |
| Smiles: | CCCOC(C1=CN(C(c2ccccc12)=O)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8655 |
| logD: | 3.8655 |
| logSw: | -4.2211 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.802 |
| InChI Key: | BBDBTCHUYYVANQ-UHFFFAOYSA-N |