2-[(3-hydroxy-3-methylbutan-2-yl)(prop-2-en-1-yl)amino]-1-{4-[(4-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Chemical Structure Depiction of
2-[(3-hydroxy-3-methylbutan-2-yl)(prop-2-en-1-yl)amino]-1-{4-[(4-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
2-[(3-hydroxy-3-methylbutan-2-yl)(prop-2-en-1-yl)amino]-1-{4-[(4-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | V008-2818 |
| Compound Name: | 2-[(3-hydroxy-3-methylbutan-2-yl)(prop-2-en-1-yl)amino]-1-{4-[(4-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one |
| Molecular Weight: | 458.62 |
| Molecular Formula: | C25 H34 N2 O4 S |
| Salt: | not_available |
| Smiles: | CC(C(C)(C)O)N(CC=C)CC(N1CCc2c(ccs2)C1COc1ccc(cc1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0912 |
| logD: | 4.0842 |
| logSw: | -4.0756 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.556 |
| InChI Key: | HAQUVZGIEZRBDY-UHFFFAOYSA-N |