5,7-dimethoxy-4-methyl-6-[3-methyl-6-oxo-6-(thiomorpholin-4-yl)hex-2-en-1-yl]-2-benzofuran-1(3H)-one
Chemical Structure Depiction of
5,7-dimethoxy-4-methyl-6-[3-methyl-6-oxo-6-(thiomorpholin-4-yl)hex-2-en-1-yl]-2-benzofuran-1(3H)-one
5,7-dimethoxy-4-methyl-6-[3-methyl-6-oxo-6-(thiomorpholin-4-yl)hex-2-en-1-yl]-2-benzofuran-1(3H)-one
Compound characteristics
| Compound ID: | Y043-4872 |
| Compound Name: | 5,7-dimethoxy-4-methyl-6-[3-methyl-6-oxo-6-(thiomorpholin-4-yl)hex-2-en-1-yl]-2-benzofuran-1(3H)-one |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C22 H29 N O5 S |
| Smiles: | C/C(CCC(N1CCSCC1)=O)=C\Cc1c(c(C)c2COC(c2c1OC)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6855 |
| logD: | 3.6855 |
| logSw: | -4.159 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.366 |
| InChI Key: | MOGOLXQQKZKAGN-UHFFFAOYSA-N |