butyl 2-(3-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
butyl 2-(3-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
butyl 2-(3-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | L867-0060 |
| Compound Name: | butyl 2-(3-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 335.4 |
| Molecular Formula: | C21 H21 N O3 |
| Smiles: | CCCCOC(C1=CN(C(c2ccccc12)=O)c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1974 |
| logD: | 4.1974 |
| logSw: | -4.2753 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.802 |
| InChI Key: | VJVOCNXDXGEIDE-UHFFFAOYSA-N |