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Basic information
- Standard SMILES
COC(=O)c1cc(-n2cnnc2S(C)(=O)=O)ccc1OC- InChIKey
SEGINNFUZKLXDI-UHFFFAOYSA-N- Molecular formula
- C12H13N3O5S
- Average molar mass
- 311.32 g/mol
Names & identifiers
- Preferred name
- 5-(3-Methanesulfonyl-[1,2,4]triazol-4-yl)-2-methoxy-benzoic acid methyl ester
- IUPAC
- methyl 2-methoxy-5-(3-methylsulfonyl-1,2,4-triazol-4-yl)benzoate
Names & synonyms
SCHEMBL7628650SEGINNFUZKLXDI-UHFFFAOYSA-N5-(3-methanesulfonyl-[1,2,4]triazol-4-yl)-2-methoxy-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 70149335
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 478
Related reactions
2 records
Compound notes
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