4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 8011-8887 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide |
| Molecular Weight: | 407.89 |
| Molecular Formula: | C19 H19 Cl F N3 O2 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(Nc1ccc(c(c1)[Cl])F)=S |
| Stereo: | ACHIRAL |
| logP: | 4.1437 |
| logD: | 3.0322 |
| logSw: | -4.4386 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.793 |
| InChI Key: | IZVWTJIIIRVVNN-UHFFFAOYSA-N |