3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile
Chemical Structure Depiction of
3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile
3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 6392-1011 |
| Compound Name: | 3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile |
| Molecular Weight: | 442.52 |
| Molecular Formula: | C26 H26 N4 O3 |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)C(N1CCCCC1)=O)C2=O)Oc1cccc(C)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.8463 |
| logD: | 3.8463 |
| logSw: | -4.0347 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.554 |
| InChI Key: | ZLRPZZYMFYEIDR-UHFFFAOYSA-N |