2-[(4-bromophenyl)sulfanyl]-5-(diethylsulfamoyl)benzoic acid
Chemical Structure Depiction of
2-[(4-bromophenyl)sulfanyl]-5-(diethylsulfamoyl)benzoic acid
2-[(4-bromophenyl)sulfanyl]-5-(diethylsulfamoyl)benzoic acid
Compound characteristics
| Compound ID: | K834-0090 |
| Compound Name: | 2-[(4-bromophenyl)sulfanyl]-5-(diethylsulfamoyl)benzoic acid |
| Molecular Weight: | 444.36 |
| Molecular Formula: | C17 H18 Br N O4 S2 |
| Smiles: | CCN(CC)S(c1ccc(c(c1)C(O)=O)Sc1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9458 |
| logD: | -0.6576 |
| logSw: | -4.3869 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.471 |
| InChI Key: | OMBKAJVJUZOTKL-UHFFFAOYSA-N |