Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(I)c3cc(C(=O)NNC(=O)C4CC4)ccc32)cc1- InChIKey
IUPBEUIANSWQRQ-UHFFFAOYSA-N- Molecular formula
- C20H18IN3O4S
- Average molar mass
- 523.3 g/mol
- Monoisotopic mass
- 523.00627
Names & identifiers
- Preferred name
- N'-(cyclopropanecarbonyl)-3-iodo-1-tosyl-1H-indole-5-carbohydrazide
- IUPAC
- N'-(cyclopropanecarbonyl)-3-iodo-1-(4-methylphenyl)sulfonylindole-5-carbohydrazide
Names & synonyms
SCHEMBL12615800IUPBEUIANSWQRQ-UHFFFAOYSA-NN'-(cyclopropanecarbonyl)-3-iodo-1-tosyl-1H-indole-5-carbohydrazide
Database identifiers
- PubChem CID
- 68328486
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 743
Related reactions
2 records
Compound notes
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