3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 6392-0642 |
| Compound Name: | 3-[2-(4-tert-butylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 489.58 |
| Molecular Formula: | C30 H27 N5 O2 |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)c1nc3ccccc3n1C)C2=O)Oc1ccc(cc1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.9474 |
| logD: | 5.9474 |
| logSw: | -5.675 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.558 |
| InChI Key: | KZCDLNIVBBESDJ-UHFFFAOYSA-N |