2-[(2-hydroxyhex-5-en-1-yl)(2-methylbutyl)amino]-1-{4-[(3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Chemical Structure Depiction of
2-[(2-hydroxyhex-5-en-1-yl)(2-methylbutyl)amino]-1-{4-[(3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
2-[(2-hydroxyhex-5-en-1-yl)(2-methylbutyl)amino]-1-{4-[(3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | V017-2462 |
| Compound Name: | 2-[(2-hydroxyhex-5-en-1-yl)(2-methylbutyl)amino]-1-{4-[(3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one |
| Molecular Weight: | 484.7 |
| Molecular Formula: | C28 H40 N2 O3 S |
| Salt: | not_available |
| Smiles: | CCC(C)CN(CC(CCC=C)O)CC(N1CCc2c(ccs2)C1COc1cccc(C)c1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0772 |
| logD: | 6.0633 |
| logSw: | -5.392 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.678 |
| InChI Key: | QYMFONQOIIXRFD-UHFFFAOYSA-N |