4-[(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoic acid
4-[(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | Y200-1253 |
| Compound Name: | 4-[(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoic acid |
| Molecular Weight: | 301.36 |
| Molecular Formula: | C16 H15 N O3 S |
| Smiles: | C1CCc2c(C1)c(cs2)C(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8776 |
| logD: | 1.4824 |
| logSw: | -4.0295 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.677 |
| InChI Key: | MRZIHKOQUOWOIF-UHFFFAOYSA-N |