methyl 2-[(benzoylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(benzoylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(benzoylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3448-1934 |
| Compound Name: | methyl 2-[(benzoylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 374.48 |
| Molecular Formula: | C18 H18 N2 O3 S2 |
| Smiles: | COC(c1c2CCCCc2sc1NC(NC(c1ccccc1)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0992 |
| logD: | 2.2857 |
| logSw: | -4.4384 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.129 |
| InChI Key: | PPQAWZIAPPZVGX-UHFFFAOYSA-N |