pentyl 2-(4-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
pentyl 2-(4-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
pentyl 2-(4-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-0106 |
| Compound Name: | pentyl 2-(4-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C22 H23 N O3 |
| Smiles: | CCCCCOC(C1=CN(C(c2ccccc12)=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6574 |
| logD: | 4.6574 |
| logSw: | -4.6068 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.802 |
| InChI Key: | LRIUBEJNOXFKCB-UHFFFAOYSA-N |