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8-[1-(2-methoxyphenyl)-1H-pyrazole-4-carbonyl]-1-oxa-8-azaspiro[4.5]decane

ChemBase ID: 370498
Molecular Formular: C19H23N3O3
Molecular Mass: 341.40422
Monoisotopic Mass: 341.17394161
SMILES and InChIs

SMILES:
c1(C(=O)N2CCC3(OCCC3)CC2)cn(nc1)c1c(OC)cccc1
Canonical SMILES:
COc1ccccc1n1ncc(c1)C(=O)N1CCC2(CC1)CCCO2
InChI:
InChI=1S/C19H23N3O3/c1-24-17-6-3-2-5-16(17)22-14-15(13-20-22)18(23)21-10-8-19(9-11-21)7-4-12-25-19/h2-3,5-6,13-14H,4,7-12H2,1H3
InChIKey:
YHTYYRYQOQUXAX-UHFFFAOYSA-N

Cite this record

CBID:370498 http://www.chembase.cn/molecule-370498.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-[1-(2-methoxyphenyl)-1H-pyrazole-4-carbonyl]-1-oxa-8-azaspiro[4.5]decane
IUPAC Traditional name
8-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1-oxa-8-azaspiro[4.5]decane
Synonyms
8-{[1-(2-methoxyphenyl)-1H-pyrazol-4-yl]carbonyl}-1-oxa-8-azaspiro[4.5]decane

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.4901327  LogD (pH = 7.4) 1.4901377 
Log P 1.4901378  Molar Refractivity 95.6608 cm3
Polarizability 36.735218 Å3 Polar Surface Area 56.59 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.73  LOG S -3.17 
Polar Surface Area 56.59 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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