3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxo-4-phenyl-1,6-dihydropyrimidin-5-yl)propanenitrile
Chemical Structure Depiction of
3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxo-4-phenyl-1,6-dihydropyrimidin-5-yl)propanenitrile
3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxo-4-phenyl-1,6-dihydropyrimidin-5-yl)propanenitrile
Compound characteristics
| Compound ID: | Y020-2773 |
| Compound Name: | 3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-oxo-4-phenyl-1,6-dihydropyrimidin-5-yl)propanenitrile |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C25 H25 N5 O3 |
| Smiles: | C(CC1=C(c2ccccc2)N=C(NC1=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C#N |
| Stereo: | ACHIRAL |
| logP: | 2.5957 |
| logD: | 1.1873 |
| logSw: | -3.1998 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.986 |
| InChI Key: | CRXZEBINMFUECN-UHFFFAOYSA-N |