ethyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate
ethyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate
Compound characteristics
| Compound ID: | C200-1857 |
| Compound Name: | ethyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C22 H27 N3 O2 S |
| Smiles: | CCOC(c1ccccc1NC(N1CCN(CC1)c1cc(C)ccc1C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6312 |
| logD: | 5.6288 |
| logSw: | -5.4397 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.152 |
| InChI Key: | VYZPQENIJZOTJN-UHFFFAOYSA-N |