N-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-0784 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 462.48 |
| Molecular Formula: | C26 H23 F N2 O5 |
| Smiles: | COCCN1C(C(C(Nc2ccc3c(c2)OCO3)=O)c2ccccc2C1=O)c1ccc(cc1)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7741 |
| logD: | 3.7722 |
| logSw: | -3.8947 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.45 |
| InChI Key: | KSINAQHCOJOMKZ-UHFFFAOYSA-N |