3-[2-(4-bromophenoxy)-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-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide
3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | 6392-0072 |
| Compound Name: | 3-[2-(4-bromophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-[(oxolan-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 495.33 |
| Molecular Formula: | C23 H19 Br N4 O4 |
| Smiles: | C1CC(CNC(C(=C\C2=C(N=C3C=CC=CN3C2=O)Oc2ccc(cc2)[Br])\C#N)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5462 |
| logD: | 2.5432 |
| logSw: | -2.8039 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.866 |
| InChI Key: | MGLYSPBXHPHJLZ-GOSISDBHSA-N |