Basic information
- Standard SMILES
COc1ccc(OC)c(-c2nc3c(CN(Cc4ccccn4)Cc4ccccn4)cccc3o2)c1- InChIKey
IJWSFLFNIGXGAV-UHFFFAOYSA-N- Molecular formula
- C28H26N4O3
- Average molar mass
- 466.5 g/mol
Names & identifiers
- Preferred name
- 4-Bis(2-pyridylmethyl)aminomethyl-2-(2,5-dimethoxyphenyl)benzoxazole
- IUPAC
- 1-[2-(2,5-dimethoxyphenyl)-1,3-benzoxazol-4-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine
Names & synonyms
SCHEMBL5334323IJWSFLFNIGXGAV-UHFFFAOYSA-N4-bis(2-pyridylmethyl)aminomethyl-2-(2,5-dimethoxy phenyl)benzoxazole4-bis(2-pyridylmethyl)aminomethyl-2-(2,5-dimethoxyphenyl)benzoxazole
Database identifiers
- PubChem CID
- 21959331
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 619
Related reactions
3 records
Compound notes
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