2-(1H-benzimidazol-2-yl)-3-[2-(4-ethylphenoxy)-9-methyl-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-ethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-[2-(4-ethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 6392-0827 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-[2-(4-ethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile |
| Molecular Weight: | 447.5 |
| Molecular Formula: | C27 H21 N5 O2 |
| Smiles: | CCc1ccc(cc1)OC1=C(/C=C(C#N)/c2nc3ccccc3[nH]2)C(N2C=CC=C(C)C2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8979 |
| logD: | 4.8974 |
| logSw: | -4.6325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.839 |
| InChI Key: | SJNTYPJPZZBXOD-UHFFFAOYSA-N |