Basic information
- Standard SMILES
CCOC(=O)c1cnn(-c2nc3cc(S)c(Cl)cc3n2COCCOC)c1- InChIKey
JBKNDCAXIZUZDB-UHFFFAOYSA-N- Molecular formula
- C17H19ClN4O4S
- Average molar mass
- 410.9 g/mol
Names & identifiers
- Preferred name
- 1-[6-chloro-5-mercapto-1-(2-methoxy-ethoxymethyl)-1H-benzoimidazol-2-yl]-1H-pyrazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-[6-chloro-1-(2-methoxyethoxymethyl)-5-sulfanylbenzimidazol-2-yl]pyrazole-4-carboxylate
Names & synonyms
SCHEMBL1192982JBKNDCAXIZUZDB-UHFFFAOYSA-N1-[6-chloro-5-mercapto-1-(2-methoxy-ethoxymethyl)-1H-benzoimidazol-2-yl]-1H-pyrazole-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 66937294
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 506
Related reactions
6 records
Compound notes
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