ethyl 2-(3-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
ethyl 2-(3-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C066-5560 |
| Compound Name: | ethyl 2-(3-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 327.77 |
| Molecular Formula: | C18 H14 Cl N O3 |
| Smiles: | CCOC(C1=CN(C(c2ccccc12)=O)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3538 |
| logD: | 3.3538 |
| logSw: | -3.6135 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.508 |
| InChI Key: | IHOAIJNGTXZNPJ-UHFFFAOYSA-N |