methyl 2-[2-(4-chlorophenyl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(4-chlorophenyl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[2-(4-chlorophenyl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0033 |
| Compound Name: | methyl 2-[2-(4-chlorophenyl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 370.79 |
| Molecular Formula: | C19 H15 Cl N2 O4 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1949 |
| logD: | 2.1919 |
| logSw: | -3.2732 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.022 |
| InChI Key: | JHKZBAIFZAXPNL-UHFFFAOYSA-N |