2,4-bis[(3,4-dimethoxyphenyl)methylidene]thiolan-3-one
Chemical Structure Depiction of
2,4-bis[(3,4-dimethoxyphenyl)methylidene]thiolan-3-one
2,4-bis[(3,4-dimethoxyphenyl)methylidene]thiolan-3-one
Compound characteristics
Compound ID: | C249-0099 |
Compound Name: | 2,4-bis[(3,4-dimethoxyphenyl)methylidene]thiolan-3-one |
Molecular Weight: | 398.48 |
Molecular Formula: | C22 H22 O5 S |
Smiles: | COc1ccc(/C=C2CSC(=C/c3ccc(c(c3)OC)OC)\C/2=O)cc1OC |
Stereo: | ACHIRAL |
logP: | 3.8551 |
logD: | 3.8551 |
logSw: | -3.9632 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 43.922 |
InChI Key: | JMMKFOGYHXRSPL-UHFFFAOYSA-N |