{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3,5-dinitrophenyl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3,5-dinitrophenyl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3,5-dinitrophenyl)methanone
Compound characteristics
Compound ID: | 8013-3817 |
Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3,5-dinitrophenyl)methanone |
Molecular Weight: | 414.37 |
Molecular Formula: | C19 H18 N4 O7 |
Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.1883 |
logD: | 1.9967 |
logSw: | -2.6725 |
Hydrogen bond acceptors count: | 13 |
Polar surface area: | 104.306 |
InChI Key: | ZWDAAUDAUHQEJE-UHFFFAOYSA-N |