ethyl 4-(2H-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8017-7954 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 378.38 |
| Molecular Formula: | C21 H18 N2 O5 |
| Smiles: | CCOC(C1C(C(C#N)=C(n2cccc2)OC=1C)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6952 |
| logD: | 3.6952 |
| logSw: | -3.9469 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.344 |
| InChI Key: | DDRWAQFTYSCTIT-LJQANCHMSA-N |