N-benzyl-2-cyano-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Chemical Structure Depiction of
N-benzyl-2-cyano-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
N-benzyl-2-cyano-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Compound characteristics
| Compound ID: | 6392-0788 |
| Compound Name: | N-benzyl-2-cyano-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide |
| Molecular Weight: | 450.5 |
| Molecular Formula: | C27 H22 N4 O3 |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)C(NCc1ccccc1)=O)C2=O)Oc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8374 |
| logD: | 3.7928 |
| logSw: | -4.1099 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.232 |
| InChI Key: | LEVYLTWTZUMIPJ-UHFFFAOYSA-N |