methyl 3-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate
methyl 3-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0639 |
| Compound Name: | methyl 3-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 393.5 |
| Molecular Formula: | C17 H15 N O4 S3 |
| Smiles: | COC(c1c(c2ccccc2s1)S(Nc1cccc(c1)SC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2114 |
| logD: | 4.17 |
| logSw: | -4.4548 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.809 |
| InChI Key: | IFCXYMMELSCUDK-UHFFFAOYSA-N |