Basic information
- Standard SMILES
COc1cc(Nc2cncc(Oc3ccc4c(c3)CCC4=O)n2)cc(OC)c1OC- InChIKey
BGAYLYUBJFCHSW-UHFFFAOYSA-N- Molecular formula
- C22H21N3O5
- Average molar mass
- 407.4 g/mol
Names & identifiers
- Preferred name
- 5-({6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}oxy)-2,3-dihydro-1H-inden-1-one
- IUPAC
- 5-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]oxy-2,3-dihydroinden-1-one
Names & synonyms
CHEMBL521305SCHEMBL1122222BDBM255972,6-Disubstituted Pyrazine, 60BGAYLYUBJFCHSW-UHFFFAOYSA-N2-(3,4,5-Trimethoxyphenylamino)-6-(indanone-5-oxy)-pyrazine5-({6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}oxy)-2,3-dihydro-1H-inden-1-one
Database identifiers
- PubChem CID
- 24879261
- ChEMBL
CHEMBL521305
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 565
Related reactions
1 records
Compound notes
Loading…