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8-[1-(1-phenylethyl)-1H-1,2,3,4-tetrazol-5-yl]-1-oxa-8-azaspiro[4.5]decane

ChemBase ID: 322202
Molecular Formular: C17H23N5O
Molecular Mass: 313.39742
Monoisotopic Mass: 313.19026038
SMILES and InChIs

SMILES:
n1(c(nnn1)N1CCC2(OCCC2)CC1)C(c1ccccc1)C
Canonical SMILES:
CC(n1nnnc1N1CCC2(CC1)CCCO2)c1ccccc1
InChI:
InChI=1S/C17H23N5O/c1-14(15-6-3-2-4-7-15)22-16(18-19-20-22)21-11-9-17(10-12-21)8-5-13-23-17/h2-4,6-7,14H,5,8-13H2,1H3
InChIKey:
DZCOPDXGTKUDJY-UHFFFAOYSA-N

Cite this record

CBID:322202 http://www.chembase.cn/molecule-322202.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-[1-(1-phenylethyl)-1H-1,2,3,4-tetrazol-5-yl]-1-oxa-8-azaspiro[4.5]decane
IUPAC Traditional name
8-[1-(1-phenylethyl)-1,2,3,4-tetrazol-5-yl]-1-oxa-8-azaspiro[4.5]decane
Synonyms
8-[1-(1-phenylethyl)-1H-tetrazol-5-yl]-1-oxa-8-azaspiro[4.5]decane

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.5768056  LogD (pH = 7.4) 2.576806 
Log P 2.576806  Molar Refractivity 102.374 cm3
Polarizability 33.692005 Å3 Polar Surface Area 56.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.5  LOG S -2.77 
Polar Surface Area 56.07 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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