8-ethoxy-3-{3-[4-(methylsulfanyl)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-ethoxy-3-{3-[4-(methylsulfanyl)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
8-ethoxy-3-{3-[4-(methylsulfanyl)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-0436 |
| Compound Name: | 8-ethoxy-3-{3-[4-(methylsulfanyl)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 366.43 |
| Molecular Formula: | C21 H18 O4 S |
| Smiles: | CCOc1cccc2C=C(C(/C=C/c3ccc(cc3)SC)=O)C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.8161 |
| logD: | 4.8161 |
| logSw: | -4.6418 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 41.03 |
| InChI Key: | LJGCUXCCQLAYIZ-UHFFFAOYSA-N |