4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(propan-2-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(propan-2-yl)piperazine-1-carbothioamide
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(propan-2-yl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 8015-0324 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(propan-2-yl)piperazine-1-carbothioamide |
| Molecular Weight: | 321.44 |
| Molecular Formula: | C16 H23 N3 O2 S |
| Smiles: | CC(C)NC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=S |
| Stereo: | ACHIRAL |
| logP: | 2.4494 |
| logD: | 0.9564 |
| logSw: | -2.847 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.361 |
| InChI Key: | VVUBDOYIKDJQIW-UHFFFAOYSA-N |