[(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]propanedinitrile
Chemical Structure Depiction of
[(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]propanedinitrile
[(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]propanedinitrile
Compound characteristics
| Compound ID: | Y070-2066 |
| Compound Name: | [(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]propanedinitrile |
| Molecular Weight: | 454.49 |
| Molecular Formula: | C25 H22 N6 O3 |
| Smiles: | CC1=CC=CN2C1=NC(=C(C=C(C#N)C#N)C2=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.1972 |
| logD: | 1.7384 |
| logSw: | -2.645 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 82.821 |
| InChI Key: | UAOFCXADGLODHZ-UHFFFAOYSA-N |