1-{3-[2-cyano-2-(4-methylbenzene-1-sulfonyl)ethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{3-[2-cyano-2-(4-methylbenzene-1-sulfonyl)ethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
1-{3-[2-cyano-2-(4-methylbenzene-1-sulfonyl)ethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | Y070-3832 |
| Compound Name: | 1-{3-[2-cyano-2-(4-methylbenzene-1-sulfonyl)ethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C25 H25 N5 O4 S |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)S(c1ccc(C)cc1)(=O)=O)C2=O)N1CCC(CC1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8523 |
| logD: | 1.8523 |
| logSw: | -2.4623 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.669 |
| InChI Key: | WHOALMSTRMKUNK-UHFFFAOYSA-N |