Basic information
- Standard SMILES
O=C(O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1)C(=O)O- InChIKey
SIVCJCRKNZPKFJ-UHFFFAOYSA-N- Molecular formula
- C24H20N4O5S
- Average molar mass
- 476.5 g/mol
- Monoisotopic mass
- 476.11544092
Names & identifiers
- Preferred name
- N-(4-((3-(2-Thienyl)-2-quinoxalinyl)amino)benzoyl)glutamic acid
- IUPAC
- 2-[[4-[(3-thiophen-2-ylquinoxalin-2-yl)amino]benzoyl]amino]pentanedioic acid
Names & synonyms
NSC642080CHEMBL2007310N-(4-((3-(2-Thienyl)-2-quinoxalinyl)amino)benzoyl)glutamic acid2-[[4-[[3-(2-thienyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acidNSC-642080NCI60_014281
Database identifiers
- PubChem CID
- 369886
- ChEMBL
CHEMBL2007310- Nikkaji
- J848.678F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 732
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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