diethyl 3-methyl-5-{[(3-phenylprop-2-enoyl)carbamothioyl]amino}thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-{[(3-phenylprop-2-enoyl)carbamothioyl]amino}thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-{[(3-phenylprop-2-enoyl)carbamothioyl]amino}thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 1895-0067 |
| Compound Name: | diethyl 3-methyl-5-{[(3-phenylprop-2-enoyl)carbamothioyl]amino}thiophene-2,4-dicarboxylate |
| Molecular Weight: | 446.54 |
| Molecular Formula: | C21 H22 N2 O5 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(NC(/C=C/c1ccccc1)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5821 |
| logD: | 1.8738 |
| logSw: | -4.4407 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.328 |
| InChI Key: | ZJUWYDNMXFQWRL-UHFFFAOYSA-N |