3-(2H-1,3-benzodioxol-5-yl)-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | 3236-0156 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 300.31 |
| Molecular Formula: | C16 H16 N2 O4 |
| Smiles: | C1CC(CNC(C(=C\c2ccc3c(c2)OCO3)\C#N)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5646 |
| logD: | 1.5645 |
| logSw: | -2.1082 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.478 |
| InChI Key: | RWGKRJFRAYTNEE-CYBMUJFWSA-N |