2-({[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
2-({[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)-1,3-thiazole-4-carboxamide
2-({[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V003-7765 |
| Compound Name: | 2-({[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 493.6 |
| Molecular Formula: | C27 H28 F N3 O3 S |
| Smiles: | CC(C)C(N1CCc2ccc(cc2C1c1cccc(c1)F)OCc1nc(cs1)C(NCC=C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0954 |
| logD: | 5.0954 |
| logSw: | -4.977 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.388 |
| InChI Key: | OTBIYTHXCKDNLG-VWLOTQADSA-N |