3-{3-[4-(methylsulfanyl)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{3-[4-(methylsulfanyl)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
3-{3-[4-(methylsulfanyl)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-0036 |
| Compound Name: | 3-{3-[4-(methylsulfanyl)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 322.38 |
| Molecular Formula: | C19 H14 O3 S |
| Smiles: | CSc1ccc(/C=C/C(C2=Cc3ccccc3OC2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3499 |
| logD: | 4.3499 |
| logSw: | -4.6011 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 34.136 |
| InChI Key: | RUSYPSKSCAWNJM-UHFFFAOYSA-N |