1-{4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[(2-hydroxyhex-5-en-1-yl)(2-methylbutyl)amino]ethan-1-one
Chemical Structure Depiction of
1-{4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[(2-hydroxyhex-5-en-1-yl)(2-methylbutyl)amino]ethan-1-one
1-{4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[(2-hydroxyhex-5-en-1-yl)(2-methylbutyl)amino]ethan-1-one
Compound characteristics
| Compound ID: | V009-4303 |
| Compound Name: | 1-{4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[(2-hydroxyhex-5-en-1-yl)(2-methylbutyl)amino]ethan-1-one |
| Molecular Weight: | 488.66 |
| Molecular Formula: | C27 H37 F N2 O3 S |
| Salt: | not_available |
| Smiles: | CCC(C)CN(CC(CCC=C)O)CC(N1CCc2c(ccs2)C1COc1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.695 |
| logD: | 5.681 |
| logSw: | -5.4258 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.678 |
| InChI Key: | NAERJJCOOBLMFX-UHFFFAOYSA-N |