(2E)-2-cyano-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-(2-methyl-2H-1-benzopyran-3-yl)prop-2-enamide
Chemical Structure Depiction of
(2E)-2-cyano-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-(2-methyl-2H-1-benzopyran-3-yl)prop-2-enamide
(2E)-2-cyano-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-(2-methyl-2H-1-benzopyran-3-yl)prop-2-enamide
Compound characteristics
| Compound ID: | 4578-0628 |
| Compound Name: | (2E)-2-cyano-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-(2-methyl-2H-1-benzopyran-3-yl)prop-2-enamide |
| Molecular Weight: | 358.41 |
| Molecular Formula: | C18 H18 N2 O4 S |
| Smiles: | CC1C(\C=C(/C#N)C(NC2CCS(C2)(=O)=O)=O)=Cc2ccccc2O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9043 |
| logD: | 1.9043 |
| logSw: | -2.5569 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.522 |
| InChI Key: | UQGVQWDRJWTPPX-UHFFFAOYSA-N |