2-{4-[({5-(diethylsulfamoyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]phenyl}propanoic acid
Chemical Structure Depiction of
2-{4-[({5-(diethylsulfamoyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]phenyl}propanoic acid
2-{4-[({5-(diethylsulfamoyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]phenyl}propanoic acid
Compound characteristics
| Compound ID: | V010-5672 |
| Compound Name: | 2-{4-[({5-(diethylsulfamoyl)-1-[(oxolan-2-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)methyl]phenyl}propanoic acid |
| Molecular Weight: | 531.69 |
| Molecular Formula: | C26 H33 N3 O5 S2 |
| Salt: | not_available |
| Smiles: | CCN(CC)S(c1ccc2c(c1)nc(n2CC1CCCO1)SCc1ccc(cc1)C(C)C(O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0658 |
| logD: | 1.2188 |
| logSw: | -3.8876 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.636 |
| InChI Key: | OCPQMEHRPFOBOS-UHFFFAOYSA-N |