3,5-dimethylphenyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
3,5-dimethylphenyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
3,5-dimethylphenyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-1581 |
| Compound Name: | 3,5-dimethylphenyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C22 H23 N O3 |
| Smiles: | CC(C)CN1C=C(C(=O)Oc2cc(C)cc(C)c2)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.4076 |
| logD: | 4.4076 |
| logSw: | -4.4269 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.85 |
| InChI Key: | OKONBVJJCHGPCO-UHFFFAOYSA-N |