4-[1-(2,3-Difluoro-phenyl)-1H-tetrazol-5-yl]-1-methanesulfonyl-1H-pyrrole-2-carboxylic acid methyl ester
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Basic information
- Standard SMILES
COC(=O)c1cc(-c2nnnn2-c2cccc(F)c2F)cn1S(C)(=O)=O- InChIKey
UJEHYCWOGNZIFF-UHFFFAOYSA-N- Molecular formula
- C14H11F2N5O4S
- Average molar mass
- 383.33 g/mol
Names & identifiers
- Preferred name
- 4-[1-(2,3-Difluoro-phenyl)-1H-tetrazol-5-yl]-1-methanesulfonyl-1H-pyrrole-2-carboxylic acid methyl ester
- IUPAC
- methyl 4-[1-(2,3-difluorophenyl)tetrazol-5-yl]-1-methylsulfonylpyrrole-2-carboxylate
Names & synonyms
SCHEMBL5047754UJEHYCWOGNZIFF-UHFFFAOYSA-N4-[1-(2,3-Difluoro-phenyl)-1H-tetrazol-5-yl]-1-methanesulfonyl-1H-pyrrole-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 59639694
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 633
Related reactions
1 records
Compound notes
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