{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 |