4-[(3-benzyloxy-4-methoxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole
Basic information
- Standard SMILES
COc1ccc(CN(c2ccc(C#N)cc2)n2cnnc2)cc1OCc1ccccc1- InChIKey
ISFGXCNQQSTZIP-UHFFFAOYSA-N- Molecular formula
- C24H21N5O2
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.16952493
Names & identifiers
- Preferred name
- 4-[(3-benzyloxy-4-methoxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole
- IUPAC
- 4-[(4-methoxy-3-phenylmethoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile
Names & synonyms
SCHEMBL2060144ISFGXCNQQSTZIP-UHFFFAOYSA-N4-[(3-benzyloxy-4-methoxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole
Database identifiers
- PubChem CID
- 16747843
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 576
Related reactions
3 records
Compound notes
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