methyl 3-[(3,4-dimethylphenyl)sulfamoyl]-4-fluoro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(3,4-dimethylphenyl)sulfamoyl]-4-fluoro-1-benzothiophene-2-carboxylate
methyl 3-[(3,4-dimethylphenyl)sulfamoyl]-4-fluoro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0173 |
| Compound Name: | methyl 3-[(3,4-dimethylphenyl)sulfamoyl]-4-fluoro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 393.45 |
| Molecular Formula: | C18 H16 F N O4 S2 |
| Smiles: | Cc1ccc(cc1C)NS(c1c2c(cccc2sc1C(=O)OC)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8884 |
| logD: | 4.8643 |
| logSw: | -4.9379 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.809 |
| InChI Key: | YMSCVCMIGPVALA-UHFFFAOYSA-N |