Basic information
- Standard SMILES
C[S@@](=O)(=NC(=O)c1cnc(N)c(I)c1)c1ccccc1- InChIKey
NZZUWRVEHNPHJM-FQEVSTJZSA-N- Molecular formula
- C13H12IN3O2S
- Average molar mass
- 401.22 g/mol
- Monoisotopic mass
- 400.9695
Names & identifiers
- Preferred name
- (S)-6-amino-5-iodo-N-[methyl(oxo)phenyl-lambda6-sulfanylidene]nicotinamide
- IUPAC
- 6-amino-5-iodo-N-(methyl-oxo-phenyl-lambda6-sulfanylidene)pyridine-3-carboxamide
Names & synonyms
SCHEMBL836171NZZUWRVEHNPHJM-FQEVSTJZSA-N(S)-6-amino-5-iodo-N-[methyl(oxo)phenyl-lambda6-sulfanylidene]nicotinamide
Database identifiers
- PubChem CID
- 86629469
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 470
Related reactions
4 records
Compound notes
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