8-methoxy-3-{3-[4-(methylsulfanyl)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-methoxy-3-{3-[4-(methylsulfanyl)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
8-methoxy-3-{3-[4-(methylsulfanyl)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-0116 |
| Compound Name: | 8-methoxy-3-{3-[4-(methylsulfanyl)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 352.41 |
| Molecular Formula: | C20 H16 O4 S |
| Smiles: | COc1cccc2C=C(C(/C=C/c3ccc(cc3)SC)=O)C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.2987 |
| logD: | 4.2987 |
| logSw: | -4.6665 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 41.45 |
| InChI Key: | VMPVMUZLIJTMPA-UHFFFAOYSA-N |