2-[(benzoylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Chemical Structure Depiction of
2-[(benzoylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
2-[(benzoylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Compound characteristics
| Compound ID: | 3473-0179 |
| Compound Name: | 2-[(benzoylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid |
| Molecular Weight: | 360.45 |
| Molecular Formula: | C17 H16 N2 O3 S2 |
| Smiles: | C1CCc2c(C1)c(C(O)=O)c(NC(NC(c1ccccc1)=O)=S)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.7876 |
| logD: | 2.0791 |
| logSw: | -4.2421 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.363 |
| InChI Key: | AKKSUUAPTQRECG-UHFFFAOYSA-N |