dimethyl 2-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbothioyl}amino)benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbothioyl}amino)benzene-1,4-dicarboxylate
dimethyl 2-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbothioyl}amino)benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | Y600-3059 |
| Compound Name: | dimethyl 2-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbothioyl}amino)benzene-1,4-dicarboxylate |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C23 H25 N3 O6 S |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5721 |
| logD: | 2.4605 |
| logSw: | -3.7564 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.442 |
| InChI Key: | CTHMUPDYTHQZGO-UHFFFAOYSA-N |