methyl 2-[2-(2-bromophenyl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(2-bromophenyl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[2-(2-bromophenyl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0059 |
| Compound Name: | methyl 2-[2-(2-bromophenyl)acetamido]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 415.24 |
| Molecular Formula: | C19 H15 Br N2 O4 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(Cc1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.487 |
| logD: | 2.484 |
| logSw: | -2.8106 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.022 |
| InChI Key: | PPIUBQPLKGACRN-UHFFFAOYSA-N |