1-{3-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{3-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
1-{3-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | Y070-3831 |
| Compound Name: | 1-{3-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C25 H22 N6 O2 S |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)c1nc3ccccc3s1)C2=O)N1CCC(CC1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6764 |
| logD: | 2.6764 |
| logSw: | -2.8829 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.617 |
| InChI Key: | ILQBJOIWAPCILL-UHFFFAOYSA-N |