3-[2-(4-tert-butylphenoxy)-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-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
Compound characteristics
| Compound ID: | 6392-0627 |
| Compound Name: | 3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C27 H30 N4 O4 |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)C(NCCCOC)=O)C2=O)Oc1ccc(cc1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 3.9189 |
| logD: | 3.9188 |
| logSw: | -4.0985 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.688 |
| InChI Key: | HLMZVGDJXSAKAN-UHFFFAOYSA-N |