3-[2-(4-chloro-3-methylphenoxy)-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-(4-chloro-3-methylphenoxy)-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-(4-chloro-3-methylphenoxy)-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: | 6392-0358 |
| Compound Name: | 3-[2-(4-chloro-3-methylphenoxy)-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: | Cc1cc(ccc1[Cl])OC1=C(\C=C(/C#N)C(NC2CCS(C2)(=O)=O)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3255 |
| logD: | 2.3254 |
| logSw: | -3.3989 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.374 |
| InChI Key: | QXNSHMPLCYDLEL-INIZCTEOSA-N |