N-benzyl-2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Chemical Structure Depiction of
N-benzyl-2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
N-benzyl-2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
Compound characteristics
| Compound ID: | 6392-0974 |
| Compound Name: | N-benzyl-2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide |
| Molecular Weight: | 464.52 |
| Molecular Formula: | C28 H24 N4 O3 |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)C(NCc1ccccc1)=O)C2=O)Oc1cc(C)cc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2148 |
| logD: | 4.1702 |
| logSw: | -4.428 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.232 |
| InChI Key: | RETHKRIIFNSYOI-UHFFFAOYSA-N |