{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-methoxy-3-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-methoxy-3-nitrophenyl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-methoxy-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | Y032-1565 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-methoxy-3-nitrophenyl)methanone |
| Molecular Weight: | 399.4 |
| Molecular Formula: | C20 H21 N3 O6 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.704 |
| logD: | 1.5124 |
| logSw: | -2.3079 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.254 |
| InChI Key: | LJVAGNJSHJCBLC-UHFFFAOYSA-N |