4-{[3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino}benzoic acid
Chemical Structure Depiction of
4-{[3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino}benzoic acid
4-{[3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino}benzoic acid
Compound characteristics
| Compound ID: | Y508-4890 |
| Compound Name: | 4-{[3-chloro-4-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino}benzoic acid |
| Molecular Weight: | 397.78 |
| Molecular Formula: | C17 H10 Cl F2 N O4 S |
| Smiles: | c1cc(c2c(c(C(Nc3ccc(cc3)C(O)=O)=O)sc2c1)[Cl])OC(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.7667 |
| logD: | 2.3715 |
| logSw: | -4.5368 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.176 |
| InChI Key: | UHIKIMKJNZIMEH-UHFFFAOYSA-N |