1-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-(ethyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)ethan-1-one
Chemical Structure Depiction of
1-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-(ethyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)ethan-1-one
1-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-(ethyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)ethan-1-one
Compound characteristics
| Compound ID: | V022-3372 |
| Compound Name: | 1-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-(ethyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)ethan-1-one |
| Molecular Weight: | 470.63 |
| Molecular Formula: | C26 H34 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC(COCC#C)O)CC(N1CCc2c(ccs2)C1COc1ccc(C)cc1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2976 |
| logD: | 4.2957 |
| logSw: | -4.287 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.842 |
| InChI Key: | NPFJBKPMNWFJJU-UHFFFAOYSA-N |