2-({[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
2-({[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
2-({[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V001-0748 |
| Compound Name: | 2-({[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 491.65 |
| Molecular Formula: | C28 H33 N3 O3 S |
| Smiles: | CCC(N1CCc2ccc(cc2C1c1ccc(C)cc1)OCc1nc(cs1)C(NCC(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8001 |
| logD: | 5.8001 |
| logSw: | -5.4145 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.019 |
| InChI Key: | XMIAOTWXQUPFSY-MHZLTWQESA-N |