methyl 2-(3-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-(3-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-(3-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C066-5559 |
| Compound Name: | methyl 2-(3-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 313.74 |
| Molecular Formula: | C17 H12 Cl N O3 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9659 |
| logD: | 2.9659 |
| logSw: | -3.4952 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.928 |
| InChI Key: | IQYKXECRDZGXLZ-UHFFFAOYSA-N |