ethyl 2-[(benzoylcarbamothioyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(benzoylcarbamothioyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(benzoylcarbamothioyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3379-1722 |
| Compound Name: | ethyl 2-[(benzoylcarbamothioyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 444.61 |
| Molecular Formula: | C23 H28 N2 O3 S2 |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(NC(c1ccccc1)=O)=S)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0388 |
| logD: | 4.2252 |
| logSw: | -5.5782 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.708 |
| InChI Key: | DGTGWXSSTQSPAY-OAHLLOKOSA-N |