3-{[3-chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino}-2-methylbenzoic acid
Chemical Structure Depiction of
3-{[3-chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino}-2-methylbenzoic acid
3-{[3-chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino}-2-methylbenzoic acid
Compound characteristics
| Compound ID: | Y500-4494 |
| Compound Name: | 3-{[3-chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino}-2-methylbenzoic acid |
| Molecular Weight: | 411.81 |
| Molecular Formula: | C18 H12 Cl F2 N O4 S |
| Smiles: | Cc1c(cccc1NC(c1c(c2ccc(cc2s1)OC(F)F)[Cl])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9109 |
| logD: | 2.048 |
| logSw: | -4.461 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.392 |
| InChI Key: | JXFQYGROPYBJQA-UHFFFAOYSA-N |