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Basic information
- Standard SMILES
COc1cccc(-c2nnc3c(-c4ccccc4)nc4ccccc4n23)c1- InChIKey
SOZOSUYGIYYJSO-UHFFFAOYSA-N- Molecular formula
- C22H16N4O
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.13241115
Names & identifiers
- Preferred name
- 1-(3-Methoxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
- IUPAC
- 1-(3-methoxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
Names & synonyms
NSC709516CHEMBL1977372NSC-709516NCI60_038638
Database identifiers
- PubChem CID
- 399100
- ChEMBL
CHEMBL1977372- Nikkaji
- J1.280.391E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
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Compound notes
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