methyl 3-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate
methyl 3-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0596 |
| Compound Name: | methyl 3-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 415.41 |
| Molecular Formula: | C17 H12 F3 N O4 S2 |
| Smiles: | COC(c1c(c2ccccc2s1)S(Nc1cccc(c1)C(F)(F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7937 |
| logD: | 3.5464 |
| logSw: | -4.9624 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.809 |
| InChI Key: | GYNVDKXYQCVPCD-UHFFFAOYSA-N |