2-{2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl}-2H-1,2,3-benzotriazole
Basic information
- Standard SMILES
Clc1ccccc1N1CCN(CCn2nc3ccccc3n2)CC1- InChIKey
RELOZXZOVJFBIM-UHFFFAOYSA-N- Molecular formula
- C18H20ClN5
- Average molar mass
- 341.8 g/mol
- Monoisotopic mass
- 341.1407234
Names & identifiers
- Preferred name
- 2-{2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl}-2H-1,2,3-benzotriazole
- IUPAC
- 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]benzotriazole
Names & synonyms
DTXSID908783112-{2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl}-2H-1,2,3-benzotriazoleBENZOTRIAZOLE,2-(4-O-CHLOROPHENYLPIPERAZIN-1YL)E
Database identifiers
- PubChem CID
- 10246733
- DTXSID
DTXSID90878311- Nikkaji
- J632.600E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 37.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 387
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Compound notes
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