2,4-bis[(2,3-dimethoxyphenyl)methylidene]thiolan-3-one
Chemical Structure Depiction of
2,4-bis[(2,3-dimethoxyphenyl)methylidene]thiolan-3-one
2,4-bis[(2,3-dimethoxyphenyl)methylidene]thiolan-3-one
Compound characteristics
| Compound ID: | C249-0042 |
| Compound Name: | 2,4-bis[(2,3-dimethoxyphenyl)methylidene]thiolan-3-one |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C22 H22 O5 S |
| Smiles: | COc1cccc(/C=C2CSC(=C/c3cccc(c3OC)OC)\C/2=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 4.5072 |
| logD: | 4.5072 |
| logSw: | -4.5098 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.095 |
| InChI Key: | IYOLNAKAKRBTKQ-UHFFFAOYSA-N |