(2H-1,3-benzodioxol-5-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone
(2H-1,3-benzodioxol-5-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | Y032-0308 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 355.35 |
| Molecular Formula: | C18 H17 N3 O5 |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)OCO2)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6228 |
| logD: | 2.6228 |
| logSw: | -2.9779 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.644 |
| InChI Key: | PZAADSYODXCXHB-UHFFFAOYSA-N |