7-(4,5-Diphenyl-2H-1,2,3-triazol-2-yl)heptanoic acid
Basic information
- CAS
142498-36-0- Standard SMILES
O=C(O)CCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)n1- InChIKey
LCJBLTAHIDYXLA-UHFFFAOYSA-N- Molecular formula
- C21H23N3O2
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.17902698
Names & identifiers
- Preferred name
- 7-(4,5-Diphenyl-2H-1,2,3-triazol-2-yl)heptanoic acid
- IUPAC
- 7-(4,5-diphenyltriazol-2-yl)heptanoic acid
Names & synonyms
142498-36-07-(4,5-Diphenyl-2H-1,2,3-triazol-2-yl)heptanoic acidDTXSID50770786
Database identifiers
- CAS
142498-36-0- PubChem CID
- 71344331
- DTXSID
DTXSID50770786
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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