7,8-dimethoxy-3-{2-[3-(4-methoxyphenyl)thiomorpholin-4-yl]-2-oxoethyl}-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7,8-dimethoxy-3-{2-[3-(4-methoxyphenyl)thiomorpholin-4-yl]-2-oxoethyl}-4-methyl-2H-1-benzopyran-2-one
7,8-dimethoxy-3-{2-[3-(4-methoxyphenyl)thiomorpholin-4-yl]-2-oxoethyl}-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y042-3261 |
| Compound Name: | 7,8-dimethoxy-3-{2-[3-(4-methoxyphenyl)thiomorpholin-4-yl]-2-oxoethyl}-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C25 H27 N O6 S |
| Smiles: | CC1=C(CC(N2CCSCC2c2ccc(cc2)OC)=O)C(=O)Oc2c1ccc(c2OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8626 |
| logD: | 3.8626 |
| logSw: | -4.0835 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.279 |
| InChI Key: | PUDOKNOSWSCIIE-FQEVSTJZSA-N |