3-(2H-1,3-benzodioxol-5-yl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one
3-(2H-1,3-benzodioxol-5-yl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y500-3886 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one |
| Molecular Weight: | 272.32 |
| Molecular Formula: | C15 H12 O3 S |
| Smiles: | Cc1ccc(C(/C=C/c2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4006 |
| logD: | 4.4006 |
| logSw: | -4.4349 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.3476 |
| InChI Key: | PGSFPCJCBAQZAV-UHFFFAOYSA-N |