4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carbothioamide
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y600-1076 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carbothioamide |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C20 H23 N3 O3 S |
| Smiles: | COc1ccccc1NC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=S |
| Stereo: | ACHIRAL |
| logP: | 3.5103 |
| logD: | 2.3988 |
| logSw: | -3.7576 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.725 |
| InChI Key: | PXLOQALQWLBLEB-UHFFFAOYSA-N |