2-(1H-benzimidazol-2-yl)-3-[2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-[2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-[2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 6392-0207 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-[2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile |
| Molecular Weight: | 419.44 |
| Molecular Formula: | C25 H17 N5 O2 |
| Smiles: | Cc1cccc(c1)OC1=C(/C=C(C#N)/c2nc3ccccc3[nH]2)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1021 |
| logD: | 4.1016 |
| logSw: | -4.5163 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.818 |
| InChI Key: | CVJOLACCXOLQLL-UHFFFAOYSA-N |