2-({[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)-1,3-oxazole-4-carboxamide
Chemical Structure Depiction of
2-({[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)-1,3-oxazole-4-carboxamide
2-({[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)-1,3-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | V017-1309 |
| Compound Name: | 2-({[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)-1,3-oxazole-4-carboxamide |
| Molecular Weight: | 491.56 |
| Molecular Formula: | C28 H30 F N3 O4 |
| Smiles: | CC(C)(C)C(N1CCc2ccc(cc2C1c1cccc(c1)F)OCc1nc(co1)C(NCC=C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7115 |
| logD: | 4.7115 |
| logSw: | -4.4683 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.293 |
| InChI Key: | PNFDEQZSSFHWNR-VWLOTQADSA-N |