4-[(2,6-dichlorophenyl)methyl]-N-(propan-2-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-[(2,6-dichlorophenyl)methyl]-N-(propan-2-yl)piperazine-1-carbothioamide
4-[(2,6-dichlorophenyl)methyl]-N-(propan-2-yl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y500-8816 |
| Compound Name: | 4-[(2,6-dichlorophenyl)methyl]-N-(propan-2-yl)piperazine-1-carbothioamide |
| Molecular Weight: | 346.32 |
| Molecular Formula: | C15 H21 Cl2 N3 S |
| Smiles: | CC(C)NC(N1CCN(CC1)Cc1c(cccc1[Cl])[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 3.7891 |
| logD: | 3.727 |
| logSw: | -4.0216 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.245 |
| InChI Key: | POPHFIFOIJHSMH-UHFFFAOYSA-N |