Basic information
- Standard SMILES
Cc1ccoc1C(=O)Nc1cccc(C#Cc2cncc(C(=O)N=S(=O)(CCCN(C)C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)c3ccccc3)c2)c1- InChIKey
LMAPTEPHJFUELK-DOQAUPNTSA-N- Molecular formula
- C36H40N4O9S
- Average molar mass
- 704.8 g/mol
Names & identifiers
- Preferred name
- 5-({3-[(3-methyl-2-furoyl)amino]phenyl}ethynyl)-N-[(3-{methyl[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]amino}propyl)(oxido)phenyl--sulfanylidene]nicotinamide
- IUPAC
- 5-[2-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]ethynyl]-N-[3-[methyl-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]propyl-oxo-phenyl-λ6-sulfanylidene]pyridine-3-carboxamide
Names & synonyms
SCHEMBL834809LMAPTEPHJFUELK-DOQAUPNTSA-N5-({3-[(3-methyl-2-furoyl)amino]phenyl}ethynyl)-N-[(3-{methyl[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]amino}propyl)(oxido)phenyl--sulfanylidene]nicotinamide
Database identifiers
- PubChem CID
- 57657906
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 16
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,290
Related reactions
1 records
Compound notes
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