dimethyl 2-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}benzene-1,4-dicarboxylate
dimethyl 2-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1760 |
| Compound Name: | dimethyl 2-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}benzene-1,4-dicarboxylate |
| Molecular Weight: | 335.38 |
| Molecular Formula: | C15 H17 N3 O4 S |
| Smiles: | CN(CCC#N)C(Nc1cc(ccc1C(=O)OC)C(=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 2.0017 |
| logD: | 2.0009 |
| logSw: | -2.9075 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.031 |
| InChI Key: | PGELQBVAUJFXRZ-UHFFFAOYSA-N |