3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide
3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | 6392-0041 |
| Compound Name: | 3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C27 H28 N4 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)OC1=C(\C=C(/C#N)C(NCC2CCCO2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5068 |
| logD: | 3.5038 |
| logSw: | -3.6723 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.866 |
| InChI Key: | IJXRIZMWBQFZIU-OAQYLSRUSA-N |