methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate
methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate
Compound characteristics
| Compound ID: | C200-1724 |
| Compound Name: | methyl 2-{[4-(2,5-dimethylphenyl)piperazine-1-carbothioyl]amino}benzoate |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C21 H25 N3 O2 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(Nc1ccccc1C(=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 5.0875 |
| logD: | 5.0851 |
| logSw: | -4.8423 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.572 |
| InChI Key: | WPXVQFXVQQAJRV-UHFFFAOYSA-N |