2-(1H-benzimidazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 6392-0052 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C28 H23 N5 O2 |
| Smiles: | CC(C)(C)c1ccc(cc1)OC1=C(/C=C(C#N)/c2nc3ccccc3[nH]2)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4913 |
| logD: | 5.4909 |
| logSw: | -5.5839 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.818 |
| InChI Key: | UQUGFARTVWSTCN-UHFFFAOYSA-N |