2-cyano-3-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)prop-2-enamide
2-cyano-3-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)prop-2-enamide
Compound characteristics
| Compound ID: | 4476-1349 |
| Compound Name: | 2-cyano-3-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)prop-2-enamide |
| Molecular Weight: | 350.39 |
| Molecular Formula: | C16 H18 N2 O5 S |
| Smiles: | COc1ccc(\C=C(/C#N)C(NC2CCS(C2)(=O)=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6862 |
| logD: | 0.6862 |
| logSw: | -2.3546 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.131 |
| InChI Key: | HPTZLVLKZUMCID-CYBMUJFWSA-N |