4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-benzylpiperazine-1-carbothioamide
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-benzylpiperazine-1-carbothioamide
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-benzylpiperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 8014-2901 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-benzylpiperazine-1-carbothioamide |
| Molecular Weight: | 369.48 |
| Molecular Formula: | C20 H23 N3 O2 S |
| Smiles: | C(c1ccccc1)NC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=S |
| Stereo: | ACHIRAL |
| logP: | 2.9802 |
| logD: | 1.4872 |
| logSw: | -3.18 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.115 |
| InChI Key: | DFDKXZVXHHTGSJ-UHFFFAOYSA-N |