Basic information
- Standard SMILES
N#Cc1ccc(N(Cc2ccc(OCc3ccccc3)c(Cl)c2)n2cnnc2)cc1- InChIKey
LAFMMYTUYQVCBT-UHFFFAOYSA-N- Molecular formula
- C23H18ClN5O
- Average molar mass
- 415.9 g/mol
Names & identifiers
- Preferred name
- 4-[(4-Benzyloxy-3-chloro-benzyl)-[1,2,4]triazol-4-yl-amino]-benzonitrile
- IUPAC
- 4-[(3-chloro-4-phenylmethoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile
Names & synonyms
SCHEMBL3235207LAFMMYTUYQVCBT-UHFFFAOYSA-N4-[(4-Benzyloxy-3-chloro-benzyl)-[1,2,4]triazol-4-yl-amino]-benzonitrile
Database identifiers
- PubChem CID
- 21976889
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 563
Related reactions
6 records
Compound notes
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