N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C168-0432 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 432.88 |
| Molecular Formula: | C22 H22 Cl F N2 O4 |
| Smiles: | CC(C)CN1C=C(C(Nc2ccc(c(c2)[Cl])F)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.445 |
| logD: | 3.4456 |
| logSw: | -4.6251 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.824 |
| InChI Key: | DLAHCSFADPNRHL-UHFFFAOYSA-N |