methyl 2-(4-fluorobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-(4-fluorobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-(4-fluorobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0010 |
| Compound Name: | methyl 2-(4-fluorobenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 340.31 |
| Molecular Formula: | C18 H13 F N2 O4 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7608 |
| logD: | 1.5965 |
| logSw: | -2.305 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.235 |
| InChI Key: | CNUPARUPGMCLPM-UHFFFAOYSA-N |