(2E)-3-[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
Chemical Structure Depiction of
(2E)-3-[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
(2E)-3-[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-3242 |
| Compound Name: | (2E)-3-[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzene-1-sulfonyl)prop-2-enenitrile |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C25 H26 N4 O4 S |
| Smiles: | CC1CN(CC(C)O1)C1=C(\C=C(/C#N)S(c2ccc(C)cc2)(=O)=O)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7437 |
| logD: | 2.7437 |
| logSw: | -3.16 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.542 |
| InChI Key: | UKXIQNKPLCNAFV-UHFFFAOYSA-N |