methyl 6-amino-4-[3-(2-amino-2-oxoethoxy)phenyl]-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Chemical Structure Depiction of
methyl 6-amino-4-[3-(2-amino-2-oxoethoxy)phenyl]-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
methyl 6-amino-4-[3-(2-amino-2-oxoethoxy)phenyl]-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Compound characteristics
| Compound ID: | 5350-1138 |
| Compound Name: | methyl 6-amino-4-[3-(2-amino-2-oxoethoxy)phenyl]-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate |
| Molecular Weight: | 401.37 |
| Molecular Formula: | C19 H19 N3 O7 |
| Smiles: | COC(CC1=C(C(C(C#N)=C(N)O1)c1cccc(c1)OCC(N)=O)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.2486 |
| logD: | -0.2486 |
| logSw: | -1.5337 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 129.527 |
| InChI Key: | RMSDOAVCEHAMPZ-MRXNPFEDSA-N |