1-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[(2-hydroxybutyl)(3-methylbutyl)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-[(2-hydroxybutyl)(3-methylbutyl)amino]ethan-1-one
1-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[(2-hydroxybutyl)(3-methylbutyl)amino]ethan-1-one
Compound characteristics
| Compound ID: | V022-6903 |
| Compound Name: | 1-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[(2-hydroxybutyl)(3-methylbutyl)amino]ethan-1-one |
| Molecular Weight: | 472.69 |
| Molecular Formula: | C27 H40 N2 O3 S |
| Salt: | not_available |
| Smiles: | CCC(CN(CCC(C)C)CC(N1CCc2c(ccs2)C1COc1ccc(C)cc1C)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0228 |
| logD: | 6.0118 |
| logSw: | -5.3979 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.743 |
| InChI Key: | YLXDLMZVCJHGDX-UHFFFAOYSA-N |