prop-2-en-1-yl 6-amino-4-(2H-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 6-amino-4-(2H-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
prop-2-en-1-yl 6-amino-4-(2H-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8008-9243 |
| Compound Name: | prop-2-en-1-yl 6-amino-4-(2H-1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate |
| Molecular Weight: | 340.33 |
| Molecular Formula: | C18 H16 N2 O5 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1ccc2c(c1)OCO2)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.077 |
| logD: | 2.077 |
| logSw: | -2.7275 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.856 |
| InChI Key: | MHCDXJSXSBOJPR-MRXNPFEDSA-N |