3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)prop-2-enamide
Chemical Structure Depiction of
3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)prop-2-enamide
3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)prop-2-enamide
Compound characteristics
| Compound ID: | 6392-0854 |
| Compound Name: | 3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)prop-2-enamide |
| Molecular Weight: | 498.94 |
| Molecular Formula: | C23 H19 Cl N4 O5 S |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)C(NC1CCS(C1)(=O)=O)=O)C2=O)Oc1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7838 |
| logD: | 1.7837 |
| logSw: | -2.6834 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.482 |
| InChI Key: | ULMBAZYUTAKFRY-INIZCTEOSA-N |