{[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile
Chemical Structure Depiction of
{[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile
{[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile
Compound characteristics
| Compound ID: | Y070-2255 |
| Compound Name: | {[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile |
| Molecular Weight: | 370.41 |
| Molecular Formula: | C22 H18 N4 O2 |
| Smiles: | CC(C)(C)c1ccc(cc1)OC1=C(C=C(C#N)C#N)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0993 |
| logD: | 4.0993 |
| logSw: | -4.3401 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 66.855 |
| InChI Key: | XTHYCNSZHMBSDB-UHFFFAOYSA-N |