N-benzyl-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enamide
Chemical Structure Depiction of
N-benzyl-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enamide
N-benzyl-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enamide
Compound characteristics
| Compound ID: | 6392-0044 |
| Compound Name: | N-benzyl-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enamide |
| Molecular Weight: | 478.55 |
| Molecular Formula: | C29 H26 N4 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)OC1=C(\C=C(/C#N)C(NCc2ccccc2)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9562 |
| logD: | 4.9117 |
| logSw: | -4.6778 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.212 |
| InChI Key: | KLNWZQSWBJEARZ-UHFFFAOYSA-N |