1-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}(prop-2-en-1-yl)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-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}(prop-2-en-1-yl)amino]ethan-1-one
1-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}(prop-2-en-1-yl)amino]ethan-1-one
Compound characteristics
| Compound ID: | V009-5435 |
| Compound Name: | 1-{4-[(2,4-dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}(prop-2-en-1-yl)amino]ethan-1-one |
| Molecular Weight: | 484.66 |
| Molecular Formula: | C27 H36 N2 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(C)c1)OCC1c2ccsc2CCN1C(CN(CC=C)CC(COCC=C)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7515 |
| logD: | 4.7506 |
| logSw: | -4.4998 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.096 |
| InChI Key: | LVAJJECLVILEKJ-UHFFFAOYSA-N |