methyl 2-[(4-cyclohexylpiperazine-1-carbothioyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(4-cyclohexylpiperazine-1-carbothioyl)amino]benzoate
methyl 2-[(4-cyclohexylpiperazine-1-carbothioyl)amino]benzoate
Compound characteristics
| Compound ID: | C200-1651 |
| Compound Name: | methyl 2-[(4-cyclohexylpiperazine-1-carbothioyl)amino]benzoate |
| Molecular Weight: | 361.5 |
| Molecular Formula: | C19 H27 N3 O2 S |
| Smiles: | COC(c1ccccc1NC(N1CCN(CC1)C1CCCCC1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9514 |
| logD: | 2.9199 |
| logSw: | -3.9856 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.706 |
| InChI Key: | JDRFEWSSLHPYNU-UHFFFAOYSA-N |