4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 3805-1057 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C19 H20 N4 O4 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(Nc1ccc(cc1)[N+]([O-])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.3392 |
| logD: | 2.2277 |
| logSw: | -3.5868 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.174 |
| InChI Key: | ORWYAHKQGSPFHL-UHFFFAOYSA-N |