Basic information
- Standard SMILES
CCn1c(-c2ccc(C(=O)OC)cc2)nc2cc(S(=O)(=O)C(F)(F)F)ccc21- InChIKey
KHWLQOPWJNJECM-UHFFFAOYSA-N- Molecular formula
- C18H15F3N2O4S
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.07046262
Names & identifiers
- Preferred name
- 4-(1-Ethyl-5-trifluoromethanesulfonyl-1H-benzoimidazol-2-yl)-benzoic acid methyl ester
- IUPAC
- methyl 4-[1-ethyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]benzoate
Names & synonyms
4-(1-Ethyl-5-trifluoromethanesulfonyl-1H-benzoimidazol-2-yl)-benzoic acid methyl esterSCHEMBL6001955
Database identifiers
- PubChem CID
- 9953476
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 671
Related reactions
3 records
Compound notes
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