ethyl 6-amino-4-(2H-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-amino-4-(2H-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
ethyl 6-amino-4-(2H-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8005-2962 |
| Compound Name: | ethyl 6-amino-4-(2H-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 328.32 |
| Molecular Formula: | C17 H16 N2 O5 |
| Smiles: | CCOC(C1C(C(C#N)=C(N)OC=1C)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0727 |
| logD: | 2.0727 |
| logSw: | -2.7285 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.562 |
| InChI Key: | KNYWMSRUFVTPAE-OAHLLOKOSA-N |