dimethyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
dimethyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1697 |
| Compound Name: | dimethyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C22 H25 N3 O4 S |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(N1CCN(CC1)Cc1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7009 |
| logD: | 3.4508 |
| logSw: | -3.9833 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.327 |
| InChI Key: | HNIASLQSYZLBTQ-UHFFFAOYSA-N |