N-benzyl-2-cyano-3-[2-(3,5-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Chemical Structure Depiction of
N-benzyl-2-cyano-3-[2-(3,5-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
N-benzyl-2-cyano-3-[2-(3,5-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Compound characteristics
| Compound ID: | 6392-0416 |
| Compound Name: | N-benzyl-2-cyano-3-[2-(3,5-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide |
| Molecular Weight: | 450.5 |
| Molecular Formula: | C27 H22 N4 O3 |
| Smiles: | Cc1cc(C)cc(c1)OC1=C(\C=C(/C#N)C(NCc2ccccc2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9444 |
| logD: | 3.8999 |
| logSw: | -4.1556 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.212 |
| InChI Key: | MRZSTSVBXQOGSF-UHFFFAOYSA-N |