Basic information
- Standard SMILES
COC(=O)c1cccc(CSc2nc3ccccc3n2CC(=O)O)c1- InChIKey
JZPXXVDHWDDNJV-UHFFFAOYSA-N- Molecular formula
- C18H16N2O4S
- Average molar mass
- 356.4 g/mol
Names & identifiers
- Preferred name
- [2-(3-Methoxycarbonyl-benzylsulfanyl)-benzoimidazol-1-yl]-acetic acid
- IUPAC
- 2-[2-[(3-methoxycarbonylphenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid
Names & synonyms
CHEMBL2046461SCHEMBL5109253JZPXXVDHWDDNJV-UHFFFAOYSA-NBDBM50387221[2-(3-Methoxycarbonyl-benzylsulfanyl)-benzoimidazol-1-yl]-acetic acid
Database identifiers
- PubChem CID
- 11610095
- ChEMBL
CHEMBL2046461
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 490
Related reactions
2 records
Compound notes
Loading…