2-[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(2-methoxyethyl)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-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(2-methoxyethyl)amino]-1-{4-[(3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
2-[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(2-methoxyethyl)amino]-1-{4-[(3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | V009-1908 |
| Compound Name: | 2-[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(2-methoxyethyl)amino]-1-{4-[(3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one |
| Molecular Weight: | 486.63 |
| Molecular Formula: | C26 H34 N2 O5 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)OCC1c2ccsc2CCN1C(CN(CCOC)CC(COCC#C)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1002 |
| logD: | 3.1001 |
| logSw: | -3.0505 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.352 |
| InChI Key: | YDOPSMFSWCDOMQ-UHFFFAOYSA-N |