methyl (6-amino-5-cyano-2,4-diphenyl-4H-pyran-3-yl)(oxo)acetate
Chemical Structure Depiction of
methyl (6-amino-5-cyano-2,4-diphenyl-4H-pyran-3-yl)(oxo)acetate
methyl (6-amino-5-cyano-2,4-diphenyl-4H-pyran-3-yl)(oxo)acetate
Compound characteristics
| Compound ID: | 8020-2657 |
| Compound Name: | methyl (6-amino-5-cyano-2,4-diphenyl-4H-pyran-3-yl)(oxo)acetate |
| Molecular Weight: | 360.37 |
| Molecular Formula: | C21 H16 N2 O4 |
| Smiles: | COC(C(C1C(C(C#N)=C(N)OC=1c1ccccc1)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.86 |
| logD: | 2.86 |
| logSw: | -3.4186 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.285 |
| InChI Key: | XBKSHKYODKRLSU-MRXNPFEDSA-N |