Basic information
- CAS
141748-00-7- Standard SMILES
CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)c1nn[nH]n1- InChIKey
ZFDATWDBAKWOKP-UHFFFAOYSA-N- Molecular formula
- C25H27N5O
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.2215605
Names & identifiers
- Preferred name
- 2-[5-Methyl-5-(1H-tetrazol-5-yl)-hexyloxy]-4,6-diphenyl-pyridine
- IUPAC
- 2-[5-methyl-5-(2H-tetrazol-5-yl)hexoxy]-4,6-diphenylpyridine
Names & synonyms
RP69698CHEMBL380555141748-00-7RP 69698SCHEMBL4348705SCHEMBL6759592DTXSID409311872-[5-Methyl-5-(1H-tetrazol-5-yl)-hexyloxy]-4,6-diphenyl-pyridineBDBM50174610L0065312-{[5-Methyl-5-(2H-tetrazol-5-yl)hexyl]oxy}-4,6-diphenylpyridinePyridine, 2-((5-methyl-5-(1H-tetrazol-5-yl)hexyl)oxy)-4,6-diphenyl-
Database identifiers
- CAS
141748-00-7- PubChem CID
- 178581
- DTXSID
DTXSID40931187- ChEMBL
CHEMBL380555- Nikkaji
- J527.117G
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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