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N-[4-(1H-imidazol-1-yl)phenyl]azocane-1-carboxamide

ChemBase ID: 865893
Molecular Formular: C17H22N4O
Molecular Mass: 298.38278
Monoisotopic Mass: 298.17936134
SMILES and InChIs

SMILES:
C(=O)(N1CCCCCCC1)Nc1ccc(n2cncc2)cc1
Canonical SMILES:
O=C(N1CCCCCCC1)Nc1ccc(cc1)n1cncc1
InChI:
InChI=1S/C17H22N4O/c22-17(20-11-4-2-1-3-5-12-20)19-15-6-8-16(9-7-15)21-13-10-18-14-21/h6-10,13-14H,1-5,11-12H2,(H,19,22)
InChIKey:
XUQHDZWRMXCJKK-UHFFFAOYSA-N

Cite this record

CBID:865893 http://www.chembase.cn/molecule-865893.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-(1H-imidazol-1-yl)phenyl]azocane-1-carboxamide
IUPAC Traditional name
N-[4-(imidazol-1-yl)phenyl]azocane-1-carboxamide
Synonyms
N-[4-(1H-imidazol-1-yl)phenyl]azocane-1-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.810507  H Acceptors
H Donor LogD (pH = 5.5) 2.3520944 
LogD (pH = 7.4) 2.7948825  Log P 2.8274307 
Molar Refractivity 98.6835 cm3 Polarizability 33.748722 Å3
Polar Surface Area 50.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.8  LOG S -3.77 
Polar Surface Area 50.16 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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