5-({[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)furan-2-carboxamide
Chemical Structure Depiction of
5-({[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)furan-2-carboxamide
5-({[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)furan-2-carboxamide
Compound characteristics
| Compound ID: | V003-4409 |
| Compound Name: | 5-({[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)furan-2-carboxamide |
| Molecular Weight: | 490.57 |
| Molecular Formula: | C29 H31 F N2 O4 |
| Smiles: | CC(C)CC(N1CCc2ccc(cc2C1c1ccc(cc1)F)OCc1ccc(C(NCC=C)=O)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3632 |
| logD: | 5.3632 |
| logSw: | -5.4062 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.201 |
| InChI Key: | VKWBHCDEWBSCCA-NDEPHWFRSA-N |