2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[(oxolan-2-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[(oxolan-2-yl)methyl]prop-2-enamide
2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[(oxolan-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | 6392-0971 |
| Compound Name: | 2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[(oxolan-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C26 H26 N4 O4 |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)C(NCC1CCCO1)=O)C2=O)Oc1cc(C)cc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7654 |
| logD: | 2.7623 |
| logSw: | -2.9985 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.887 |
| InChI Key: | AKWXOTWKGBPKJQ-HXUWFJFHSA-N |