3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(3-methoxypropyl)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-(3-methoxypropyl)prop-2-enamide
3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
Compound characteristics
| Compound ID: | 6392-0937 |
| Compound Name: | 3-[2-(4-chloro-3-methylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide |
| Molecular Weight: | 466.92 |
| Molecular Formula: | C24 H23 Cl N4 O4 |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)C(NCCCOC)=O)C2=O)Oc1ccc(c(C)c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3178 |
| logD: | 3.3176 |
| logSw: | -3.7555 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.688 |
| InChI Key: | TXMQGTHDVHRWAE-UHFFFAOYSA-N |