N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C168-0480 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C23 H25 F N2 O4 |
| Smiles: | CC(C)CN1C=C(C(NCc2ccc(cc2)F)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3131 |
| logD: | 3.3124 |
| logSw: | -3.6417 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.146 |
| InChI Key: | RMCXVJNJYVLGGK-UHFFFAOYSA-N |