ethyl 2-[(benzoylcarbamothioyl)amino]-4,7-dihydro-5H-spiro[[1]benzothiophene-6,1'-cyclohexane]-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(benzoylcarbamothioyl)amino]-4,7-dihydro-5H-spiro[[1]benzothiophene-6,1'-cyclohexane]-3-carboxylate
ethyl 2-[(benzoylcarbamothioyl)amino]-4,7-dihydro-5H-spiro[[1]benzothiophene-6,1'-cyclohexane]-3-carboxylate
Compound characteristics
| Compound ID: | 5731-0133 |
| Compound Name: | ethyl 2-[(benzoylcarbamothioyl)amino]-4,7-dihydro-5H-spiro[[1]benzothiophene-6,1'-cyclohexane]-3-carboxylate |
| Molecular Weight: | 456.63 |
| Molecular Formula: | C24 H28 N2 O3 S2 |
| Smiles: | CCOC(c1c2CCC3(CCCCC3)Cc2sc1NC(NC(c1ccccc1)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2546 |
| logD: | 3.4411 |
| logSw: | -5.1766 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.629 |
| InChI Key: | IJVIDJVOTAVTKD-UHFFFAOYSA-N |