methyl 4-(3-acetyl-6-amino-5-cyano-2-methyl-4H-pyran-4-yl)benzoate
Chemical Structure Depiction of
methyl 4-(3-acetyl-6-amino-5-cyano-2-methyl-4H-pyran-4-yl)benzoate
methyl 4-(3-acetyl-6-amino-5-cyano-2-methyl-4H-pyran-4-yl)benzoate
Compound characteristics
| Compound ID: | 8011-1242 |
| Compound Name: | methyl 4-(3-acetyl-6-amino-5-cyano-2-methyl-4H-pyran-4-yl)benzoate |
| Molecular Weight: | 312.32 |
| Molecular Formula: | C17 H16 N2 O4 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1ccc(cc1)C(=O)OC)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5992 |
| logD: | 1.5992 |
| logSw: | -1.8343 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.693 |
| InChI Key: | GFJVUMKWIRMLBY-OAHLLOKOSA-N |