Basic information
- Standard SMILES
COc1ccc(Cn2nnc3c(Oc4cc(Cl)cc(C#N)c4)c(Cl)ccc32)cc1- InChIKey
IJEPVHRLEVCYCS-UHFFFAOYSA-N- Molecular formula
- C21H14Cl2N4O2
- Average molar mass
- 425.3 g/mol
- Monoisotopic mass
- 424.0493811
Names & identifiers
- Preferred name
- 3-Chloro-5-{[5-chloro-1-(4-methoxybenzyl)-1H-1,2,3-benzotriazol-4-yl]oxy}benzonitrile
- IUPAC
- 3-chloro-5-[5-chloro-1-[(4-methoxyphenyl)methyl]benzotriazol-4-yl]oxybenzonitrile
Names & synonyms
SCHEMBL2883066IJEPVHRLEVCYCS-UHFFFAOYSA-N3-Chloro-5-{[5-chloro-1-(4-methoxybenzyl)-1H-1,2,3-benzotriazol-4-yl]oxy}benzonitrile
Database identifiers
- PubChem CID
- 68427208
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 594
Related reactions
4 records
Compound notes
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