methyl 6-amino-5-cyano-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-5-cyano-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
methyl 6-amino-5-cyano-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 8019-9062 |
| Compound Name: | methyl 6-amino-5-cyano-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 402.36 |
| Molecular Formula: | C19 H18 N2 O8 |
| Smiles: | COC(CC1=C(C(C(C#N)=C(N)O1)c1cc(c2c(c1)OCO2)OC)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2093 |
| logD: | 1.2093 |
| logSw: | -1.7556 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.07 |
| InChI Key: | MJQSFHHHYHMPRH-OAHLLOKOSA-N |