1-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[(2-hydroxypropyl)(2-methylpropyl)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-hydroxypropyl)(2-methylpropyl)amino]ethan-1-one
1-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[(2-hydroxypropyl)(2-methylpropyl)amino]ethan-1-one
Compound characteristics
| Compound ID: | V008-0019 |
| Compound Name: | 1-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[(2-hydroxypropyl)(2-methylpropyl)amino]ethan-1-one |
| Molecular Weight: | 444.64 |
| Molecular Formula: | C25 H36 N2 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CN(CC(C)O)CC(N1CCc2c(ccs2)C1COc1ccc(C)cc1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0662 |
| logD: | 5.0505 |
| logSw: | -4.6226 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.623 |
| InChI Key: | XSSXMLUOXYPENQ-UHFFFAOYSA-N |