2-cyano-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-[9-methyl-2-(3-methylphenoxy)-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-[9-methyl-2-(3-methylphenoxy)-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-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Compound characteristics
| Compound ID: | 6392-0792 |
| Compound Name: | 2-cyano-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C24 H22 N4 O5 S |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)C(NC1CCS(C1)(=O)=O)=O)C2=O)Oc1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8078 |
| logD: | 1.8077 |
| logSw: | -2.4955 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.395 |
| InChI Key: | KMSJAUWCODVNQC-GOSISDBHSA-N |