Basic information
- Standard SMILES
COc1ccc(C(c2ccc(OC)c(OCc3ccccc3)c2)n2cncn2)cc1OCc1ccccc1- InChIKey
UEZNOWPDZYXQCK-UHFFFAOYSA-N- Molecular formula
- C31H29N3O4
- Average molar mass
- 507.6 g/mol
- Monoisotopic mass
- 507.21580641
Names & identifiers
- Preferred name
- 1-[Bis-(3-benzyloxy-4-methoxyphenyl)methyl]-1H-[1,2,4]triazole
- IUPAC
- 1-[bis(4-methoxy-3-phenylmethoxyphenyl)methyl]-1,2,4-triazole
Names & synonyms
SCHEMBL2060077UEZNOWPDZYXQCK-UHFFFAOYSA-N1-[Bis-(3-benzyloxy-4-methoxyphenyl)methyl]-1H-[1,2,4]triazole
Database identifiers
- PubChem CID
- 58734010
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 624
Related reactions
3 records
Compound notes
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