{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}(3,5-dichlorophenyl)methanone
Chemical Structure Depiction of
{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}(3,5-dichlorophenyl)methanone
{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}(3,5-dichlorophenyl)methanone
Compound characteristics
| Compound ID: | V008-6282 |
| Compound Name: | {4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}(3,5-dichlorophenyl)methanone |
| Molecular Weight: | 457.31 |
| Molecular Formula: | C22 H18 Cl2 N4 O3 |
| Smiles: | C1CN(CCN1C(c1cc(cc(c1)[Cl])[Cl])=O)c1nccc(c2ccc3c(c2)OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0218 |
| logD: | 5.021 |
| logSw: | -5.31 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.921 |
| InChI Key: | IXXCKKBLGCZQRR-UHFFFAOYSA-N |