Basic information
- Standard SMILES
CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nc(=S)o[nH]2)cc1- InChIKey
HRRMKHNTCGBOJB-UHFFFAOYSA-N- Molecular formula
- C28H26N4O3S
- Average molar mass
- 498.6 g/mol
Names & identifiers
- Preferred name
- Methyl 2-butyl-1-[[2'-(2,5-dihydro-5-thioxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazol-7-carboxylate
- IUPAC
- methyl 2-butyl-3-[[4-[2-(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
Names & synonyms
CHEMBL150049SCHEMBL7015611HRRMKHNTCGBOJB-UHFFFAOYSA-NMethyl 2-butyl-1-[[2'-(2,5-dihydro-5-thioxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazol-7-carboxylateMethyl 2-butyl-1-[[2'-(2.5-dihydro-5-thioxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazol-7-carboxylate
Database identifiers
- PubChem CID
- 10649000
- ChEMBL
CHEMBL150049
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 815
Related reactions
5 records
Linked notes
Loading…