4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3,5-difluorophenyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3,5-difluorophenyl)piperazine-1-carbothioamide
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3,5-difluorophenyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y600-3279 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3,5-difluorophenyl)piperazine-1-carbothioamide |
| Molecular Weight: | 391.44 |
| Molecular Formula: | C19 H19 F2 N3 O2 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(Nc1cc(cc(c1)F)F)=S |
| Stereo: | ACHIRAL |
| logP: | 3.8759 |
| logD: | 2.7644 |
| logSw: | -4.0578 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.793 |
| InChI Key: | ZQEAQEIQGVKTSZ-UHFFFAOYSA-N |