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Octanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[2-[7-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenoxy]-6-(1-methylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propyl]-

HCID 165366191
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Basic information

CAS
137581-66-9
Standard SMILES
CCCCCCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)NCC(C)c1nc2c(Oc3ccc(C(C)(C)c4ccc(O)cc4)cc3)c(C(C)C)[nH]n2n1
InChIKey
XENFCNWSJQXMKQ-UHFFFAOYSA-N
Molecular formula
C49H69N5O4
Average molar mass
792.1 g/mol
Monoisotopic mass
791.5349557

Names & identifiers

Preferred name
Octanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[2-[7-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenoxy]-6-(1-methylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propyl]-
IUPAC
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[7-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]-6-propan-2-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propyl]octanamide

Names & synonyms

DTXSID001099139137581-66-9Octanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[2-[7-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenoxy]-6-(1-methylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propyl]-

Database identifiers

CAS
137581-66-9
PubChem CID
165366191
DTXSID
DTXSID001099139

Properties

Computed structural properties

XLogP
14.8
Topological polar surface area
114 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
20
Heavy atoms
58
Formal charge
0
Complexity
1,240

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