3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-methoxyethyl)prop-2-enamide
Chemical Structure Depiction of
3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-methoxyethyl)prop-2-enamide
3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-methoxyethyl)prop-2-enamide
Compound characteristics
| Compound ID: | 6392-0938 |
| Compound Name: | 3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-methoxyethyl)prop-2-enamide |
| Molecular Weight: | 452.9 |
| Molecular Formula: | C23 H21 Cl N4 O4 |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)C(NCCOC)=O)C2=O)Oc1ccc(c(C)c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1183 |
| logD: | 3.1166 |
| logSw: | -3.6338 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.688 |
| InChI Key: | XRTPTSHQEADJNV-UHFFFAOYSA-N |