{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4,5-dimethoxy-2-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4,5-dimethoxy-2-nitrophenyl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4,5-dimethoxy-2-nitrophenyl)methanone
Compound characteristics
| Compound ID: | Y032-1637 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4,5-dimethoxy-2-nitrophenyl)methanone |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C21 H23 N3 O7 |
| Smiles: | COc1cc(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0132 |
| logD: | 1.8217 |
| logSw: | -2.8303 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.884 |
| InChI Key: | QKNSBHUUQTXINE-UHFFFAOYSA-N |