4-(3,4-dichlorophenyl)-N-[(oxolan-2-yl)methyl]piperazine-1-carbothioamide
Chemical Structure Depiction of
4-(3,4-dichlorophenyl)-N-[(oxolan-2-yl)methyl]piperazine-1-carbothioamide
4-(3,4-dichlorophenyl)-N-[(oxolan-2-yl)methyl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y500-8842 |
| Compound Name: | 4-(3,4-dichlorophenyl)-N-[(oxolan-2-yl)methyl]piperazine-1-carbothioamide |
| Molecular Weight: | 374.33 |
| Molecular Formula: | C16 H21 Cl2 N3 O S |
| Smiles: | C1CC(CNC(N2CCN(CC2)c2ccc(c(c2)[Cl])[Cl])=S)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5491 |
| logD: | 3.549 |
| logSw: | -3.688 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.3735 |
| InChI Key: | CMLGBHJXFXARAD-CYBMUJFWSA-N |