ethyl 2-[(phenylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(phenylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(phenylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3261-1070 |
| Compound Name: | ethyl 2-[(phenylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 360.5 |
| Molecular Formula: | C18 H20 N2 O2 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(Nc1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7916 |
| logD: | 4.3947 |
| logSw: | -4.6255 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.53 |
| InChI Key: | LLGKQAVFOOLYNJ-UHFFFAOYSA-N |