3-(2H-1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-1316 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-(2-oxothiolan-3-yl)prop-2-enamide |
| Molecular Weight: | 291.32 |
| Molecular Formula: | C14 H13 N O4 S |
| Smiles: | C1CSC(C1NC(/C=C/c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.844 |
| logD: | 1.6239 |
| logSw: | -2.4323 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.108 |
| InChI Key: | PMARQFGAMVHOIN-SNVBAGLBSA-N |