3-(2H-1,3-benzodioxol-5-yl)-2-cyano-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-2-cyano-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-2-cyano-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)prop-2-enamide
Compound characteristics
| Compound ID: | 4476-1353 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-2-cyano-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)prop-2-enamide |
| Molecular Weight: | 334.35 |
| Molecular Formula: | C15 H14 N2 O5 S |
| Smiles: | C1CS(CC1NC(C(=C\c1ccc2c(c1)OCO2)\C#N)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9844 |
| logD: | 0.9844 |
| logSw: | -2.3624 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.986 |
| InChI Key: | JLVVLVQAENCYBT-GFCCVEGCSA-N |