3-[2-(azepan-1-yl)-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-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | Y070-3002 |
| Compound Name: | 3-[2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C25 H24 N6 O |
| Smiles: | Cn1c2ccccc2nc1C(=C\C1=C(N=C2C=CC=CN2C1=O)N1CCCCCC1)\C#N |
| Stereo: | ACHIRAL |
| logP: | 3.8129 |
| logD: | 3.8129 |
| logSw: | -3.9393 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 57.158 |
| InChI Key: | IHMSOVFRXUVYIB-UHFFFAOYSA-N |