2-cyano-3-[2-(2,3-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-[2-(2,3-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)prop-2-enamide
2-cyano-3-[2-(2,3-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)prop-2-enamide
Compound characteristics
| Compound ID: | 6392-0451 |
| Compound Name: | 2-cyano-3-[2-(2,3-dimethylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)prop-2-enamide |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C24 H22 N4 O5 S |
| Smiles: | Cc1cccc(c1C)OC1=C(\C=C(/C#N)C(NC2CCS(C2)(=O)=O)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9231 |
| logD: | 1.923 |
| logSw: | -2.3728 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.461 |
| InChI Key: | PMNMWACODNNHRI-GOSISDBHSA-N |