N-(2H-1,3-benzodioxol-5-yl)-2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]acetamide
Compound characteristics
| Compound ID: | K940-0370 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]acetamide |
| Molecular Weight: | 448.45 |
| Molecular Formula: | C19 H20 N4 O7 S |
| Smiles: | C1CN(CCN1CC(Nc1ccc2c(c1)OCO2)=O)S(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4451 |
| logD: | 2.445 |
| logSw: | -3.0465 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.136 |
| InChI Key: | XRZMENWUUJZHBE-UHFFFAOYSA-N |