2-{[3-(benzyloxy)-2-hydroxypropyl](prop-2-en-1-yl)amino}-1-{4-[(3-methoxyphenoxy)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-methoxyphenoxy)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-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | V005-9994 |
| Compound Name: | 2-{[3-(benzyloxy)-2-hydroxypropyl](prop-2-en-1-yl)amino}-1-{4-[(3-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one |
| Molecular Weight: | 536.69 |
| Molecular Formula: | C30 H36 N2 O5 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)OCC1c2ccsc2CCN1C(CN(CC=C)CC(COCc1ccccc1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6496 |
| logD: | 4.6486 |
| logSw: | -4.5217 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.363 |
| InChI Key: | BEQDVEAMUHMHGL-UHFFFAOYSA-N |