2-cyano-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(4-ethoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(4-ethoxyphenyl)prop-2-enamide
2-cyano-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(4-ethoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 6392-1007 |
| Compound Name: | 2-cyano-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(4-ethoxyphenyl)prop-2-enamide |
| Molecular Weight: | 494.55 |
| Molecular Formula: | C29 H26 N4 O4 |
| Smiles: | CCOc1ccc(cc1)NC(C(=C\C1=C(N=C2C(C)=CC=CN2C1=O)Oc1cccc(C)c1C)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0228 |
| logD: | 4.7923 |
| logSw: | -4.53 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.121 |
| InChI Key: | MALLLBRIQLXSKW-UHFFFAOYSA-N |