4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chlorophenyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chlorophenyl)piperazine-1-carbothioamide
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chlorophenyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 3805-1116 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chlorophenyl)piperazine-1-carbothioamide |
| Molecular Weight: | 389.9 |
| Molecular Formula: | C19 H20 Cl N3 O2 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(Nc1cccc(c1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 4.1671 |
| logD: | 3.0556 |
| logSw: | -4.34 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.793 |
| InChI Key: | JQHVSXBFSCWNED-UHFFFAOYSA-N |