2-cyano-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-[2-(2-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Chemical Structure Depiction of
2-cyano-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-[2-(2-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
2-cyano-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-[2-(2-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Compound characteristics
| Compound ID: | 6392-0327 |
| Compound Name: | 2-cyano-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-[2-(2-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide |
| Molecular Weight: | 468.46 |
| Molecular Formula: | C22 H17 F N4 O5 S |
| Smiles: | C1CS(CC1NC(C(=C\C1=C(N=C2C=CC=CN2C1=O)Oc1ccccc1F)\C#N)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1651 |
| logD: | 1.165 |
| logSw: | -2.1206 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.461 |
| InChI Key: | BSFQJKYETXNHQK-OAHLLOKOSA-N |