3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)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-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 6392-1016 |
| Compound Name: | 3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C27 H23 N3 O4 S |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)S(c1ccc(C)cc1)(=O)=O)C2=O)Oc1cccc(C)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.8291 |
| logD: | 4.8291 |
| logSw: | -4.6645 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.407 |
| InChI Key: | HDJBTVNVVQWBGH-UHFFFAOYSA-N |