Basic information
- Standard SMILES
CCN(CC)CCC[S@@](=O)(=NC(=O)c1cncc(C#Cc2cccc(NC(=O)c3occc3C)c2)c1)c1ccccc1- InChIKey
XMGYTXHNYSLKHW-WBCKFURZSA-N- Molecular formula
- C33H34N4O4S
- Average molar mass
- 582.7 g/mol
- Monoisotopic mass
- 582.23007675
Names & identifiers
- Preferred name
- (S)-N-{[3-(diethylamino)propyl](oxido)phenyl--sulfanylidene}-5-({3-[(3-methyl-2-furoyl)amino]phenyl}ethynyl)nicotinamide
- IUPAC
- N-[3-(diethylamino)propyl-oxo-phenyl-lambda6-sulfanylidene]-5-[2-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]ethynyl]pyridine-3-carboxamide
Names & synonyms
SCHEMBL848361XMGYTXHNYSLKHW-WBCKFURZSA-N(S)-N-{[3-(diethylamino)propyl](oxido)phenyl--sulfanylidene}-5-({3-[(3-methyl-2-furoyl)amino]phenyl}ethynyl)nicotinamide
Database identifiers
- PubChem CID
- 57657902
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
1 records
Compound notes
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