dimethyl 2-[(azepane-1-carbothioyl)amino]benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[(azepane-1-carbothioyl)amino]benzene-1,4-dicarboxylate
dimethyl 2-[(azepane-1-carbothioyl)amino]benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1703 |
| Compound Name: | dimethyl 2-[(azepane-1-carbothioyl)amino]benzene-1,4-dicarboxylate |
| Molecular Weight: | 350.43 |
| Molecular Formula: | C17 H22 N2 O4 S |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(N1CCCCCC1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8805 |
| logD: | 3.8802 |
| logSw: | -3.926 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.118 |
| InChI Key: | DEKWHZYIHMSWLA-UHFFFAOYSA-N |