3-chlorophenyl 2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
3-chlorophenyl 2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
3-chlorophenyl 2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-1531 |
| Compound Name: | 3-chlorophenyl 2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 313.74 |
| Molecular Formula: | C17 H12 Cl N O3 |
| Smiles: | CN1C=C(C(=O)Oc2cccc(c2)[Cl])c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.8188 |
| logD: | 2.8188 |
| logSw: | -3.5992 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.565 |
| InChI Key: | LBNARDPXMPLXSN-UHFFFAOYSA-N |