1-{4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-{[2-hydroxy-3-(2-methylpropoxy)propyl](prop-2-en-1-yl)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-hydroxy-3-(2-methylpropoxy)propyl](prop-2-en-1-yl)amino}ethan-1-one
1-{4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-{[2-hydroxy-3-(2-methylpropoxy)propyl](prop-2-en-1-yl)amino}ethan-1-one
Compound characteristics
| Compound ID: | V001-5117 |
| Compound Name: | 1-{4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-{[2-hydroxy-3-(2-methylpropoxy)propyl](prop-2-en-1-yl)amino}ethan-1-one |
| Molecular Weight: | 490.64 |
| Molecular Formula: | C26 H35 F N2 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)COCC(CN(CC=C)CC(N1CCc2c(ccs2)C1COc1cccc(c1)F)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3145 |
| logD: | 4.3134 |
| logSw: | -4.284 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.091 |
| InChI Key: | GKKPJRJKIVLCBZ-UHFFFAOYSA-N |