Basic information
- Standard SMILES
NC(=O)CNC(=O)CS(=O)(=NC(=O)c1cncc(C#Cc2cccc(O)c2)c1)c1ccccc1- InChIKey
FAZUFDLUWKSEDX-UHFFFAOYSA-N- Molecular formula
- C24H20N4O5S
- Average molar mass
- 476.5 g/mol
Names & identifiers
- Preferred name
- N-[{2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl}(oxo)phenyl-lambda6-sulfanylidene]-5-[(3-hydroxyphenyl)ethynyl]nicotinamide
- IUPAC
- N-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-oxo-phenyl-λ6-sulfanylidene]-5-[2-(3-hydroxyphenyl)ethynyl]pyridine-3-carboxamide
Names & synonyms
SCHEMBL836450FAZUFDLUWKSEDX-UHFFFAOYSA-NN-[{2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl}(oxo)phenyl-lambda6-sulfanylidene]-5-[(3-hydroxyphenyl)ethynyl]nicotinamide
Database identifiers
- PubChem CID
- 76585237
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 940
Related reactions
4 records
Compound notes
Loading…