methyl 3-{[2-(4-bromoanilino)-2-oxoethyl](methyl)sulfamoyl}-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-(4-bromoanilino)-2-oxoethyl](methyl)sulfamoyl}-1-benzothiophene-2-carboxylate
methyl 3-{[2-(4-bromoanilino)-2-oxoethyl](methyl)sulfamoyl}-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0840 |
| Compound Name: | methyl 3-{[2-(4-bromoanilino)-2-oxoethyl](methyl)sulfamoyl}-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 497.38 |
| Molecular Formula: | C19 H17 Br N2 O5 S2 |
| Smiles: | CN(CC(Nc1ccc(cc1)[Br])=O)S(c1c2ccccc2sc1C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1221 |
| logD: | 4.1211 |
| logSw: | -4.1883 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.873 |
| InChI Key: | JAFXZZMQMJFGQL-UHFFFAOYSA-N |