3-[2-(4-chlorophenoxy)-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-chlorophenoxy)-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-chlorophenoxy)-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: | 6392-0172 |
| Compound Name: | 3-[2-(4-chlorophenoxy)-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: | 484.92 |
| Molecular Formula: | C22 H17 Cl N4 O5 S |
| Smiles: | C1CS(CC1NC(C(=C\C1=C(N=C2C=CC=CN2C1=O)Oc1ccc(cc1)[Cl])\C#N)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7269 |
| logD: | 1.7268 |
| logSw: | -2.8776 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.374 |
| InChI Key: | SDZAEHWDPUCKMR-INIZCTEOSA-N |