Basic information
- Standard SMILES
CCCS(=O)(=O)c1nccc(-n2ncc3c(OCCS(C)(=O)=O)cccc32)n1- InChIKey
ZJERZWRGJGPGGO-UHFFFAOYSA-N- Molecular formula
- C17H20N4O5S2
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.0875121
Names & identifiers
- Preferred name
- 4-(2-methanesulfonyl-ethoxy)-1-[2-(propane-1-sulfonyl)-pyrimidin-4-yl]-1H-indazole
- IUPAC
- 4-(2-methylsulfonylethoxy)-1-(2-propylsulfonylpyrimidin-4-yl)indazole
Names & synonyms
SCHEMBL15451288ZJERZWRGJGPGGO-UHFFFAOYSA-N4-(2-methanesulfonyl-ethoxy)-1-[2-(propane-1-sulfonyl)-pyrimidin-4-yl]-1H-indazole
Database identifiers
- PubChem CID
- 58542157
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 719
Related reactions
1 records
Compound notes
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