2-{[3-(benzyloxy)-2-hydroxypropyl](prop-2-en-1-yl)amino}-1-{4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Chemical Structure Depiction of
2-{[3-(benzyloxy)-2-hydroxypropyl](prop-2-en-1-yl)amino}-1-{4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
2-{[3-(benzyloxy)-2-hydroxypropyl](prop-2-en-1-yl)amino}-1-{4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | V013-2447 |
| Compound Name: | 2-{[3-(benzyloxy)-2-hydroxypropyl](prop-2-en-1-yl)amino}-1-{4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one |
| Molecular Weight: | 524.65 |
| Molecular Formula: | C29 H33 F N2 O4 S |
| Salt: | not_available |
| Smiles: | C=CCN(CC(COCc1ccccc1)O)CC(N1CCc2c(ccs2)C1COc1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.711 |
| logD: | 4.71 |
| logSw: | -4.7002 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.819 |
| InChI Key: | QBNWSVJWYASBFG-UHFFFAOYSA-N |