4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexylpiperazine-1-carbothioamide
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexylpiperazine-1-carbothioamide
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexylpiperazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y501-6808 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexylpiperazine-1-carbothioamide |
| Molecular Weight: | 361.5 |
| Molecular Formula: | C19 H27 N3 O2 S |
| Smiles: | C1CCC(CC1)NC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=S |
| Stereo: | ACHIRAL |
| logP: | 3.5786 |
| logD: | 2.0856 |
| logSw: | -3.7915 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.84 |
| InChI Key: | JJHBNJFCOJVPQX-UHFFFAOYSA-N |