3-chlorophenyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
3-chlorophenyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
3-chlorophenyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-1573 |
| Compound Name: | 3-chlorophenyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 355.82 |
| Molecular Formula: | C20 H18 Cl N O3 |
| Smiles: | CC(C)CN1C=C(C(=O)Oc2cccc(c2)[Cl])c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.3349 |
| logD: | 4.3349 |
| logSw: | -4.5807 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.85 |
| InChI Key: | XKWSCYIVMNYONP-UHFFFAOYSA-N |