3-[2-(4-tert-butylphenoxy)-9-methyl-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)-9-methyl-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)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | 6392-0630 |
| Compound Name: | 3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 486.57 |
| Molecular Formula: | C28 H30 N4 O4 |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)C(NCC1CCCO1)=O)C2=O)Oc1ccc(cc1)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7772 |
| logD: | 3.7742 |
| logSw: | -4.0414 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.887 |
| InChI Key: | DAZPKAXZXMYAPF-JOCHJYFZSA-N |