{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}(4-ethylphenyl)methanone
Chemical Structure Depiction of
{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}(4-ethylphenyl)methanone
{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}(4-ethylphenyl)methanone
Compound characteristics
| Compound ID: | V009-9954 |
| Compound Name: | {4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}(4-ethylphenyl)methanone |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C24 H24 N4 O3 |
| Smiles: | CCc1ccc(cc1)C(N1CCN(CC1)c1nccc(c2ccc3c(c2)OCO3)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5343 |
| logD: | 4.5335 |
| logSw: | -4.281 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.921 |
| InChI Key: | XKRUJYKCPANHPB-UHFFFAOYSA-N |