4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y600-0692 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-chloro-2-methylphenyl)piperazine-1-carbothioamide |
| Molecular Weight: | 403.93 |
| Molecular Formula: | C20 H22 Cl N3 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=S |
| Stereo: | ACHIRAL |
| logP: | 4.5646 |
| logD: | 3.453 |
| logSw: | -4.5524 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.0948 |
| InChI Key: | VLPQKDAICURDNF-UHFFFAOYSA-N |