1-{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}-2,2-dichloroethan-1-one
Chemical Structure Depiction of
1-{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}-2,2-dichloroethan-1-one
1-{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}-2,2-dichloroethan-1-one
Compound characteristics
| Compound ID: | V005-9991 |
| Compound Name: | 1-{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl}-2,2-dichloroethan-1-one |
| Molecular Weight: | 395.24 |
| Molecular Formula: | C17 H16 Cl2 N4 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(C([Cl])[Cl])=O)c1nccc(c2ccc3c(c2)OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0663 |
| logD: | 3.0655 |
| logSw: | -3.1446 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.193 |
| InChI Key: | NMJROLWWVNIWKG-UHFFFAOYSA-N |