N-(butan-2-yl)-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(butan-2-yl)-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C138-0591 |
| Compound Name: | N-(butan-2-yl)-3-(2-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C23 H27 F N2 O4 |
| Smiles: | CCC(C)NC(C1C(c2ccccc2F)N(C)C(c2cc(c(cc12)OC)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8435 |
| logD: | 2.8435 |
| logSw: | -3.4046 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.076 |
| InChI Key: | PPEHDXMUGSFVIE-UHFFFAOYSA-N |