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1-(benzyloxy)-8-(2,5-difluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one

ChemBase ID: 320242
Molecular Formular: C22H22F2N2O3
Molecular Mass: 400.4184864
Monoisotopic Mass: 400.15984901
SMILES and InChIs

SMILES:
c1(C(=O)N2CCC3(N(C(=O)CC3)OCc3ccccc3)CC2)c(ccc(c1)F)F
Canonical SMILES:
Fc1ccc(c(c1)C(=O)N1CCC2(CC1)CCC(=O)N2OCc1ccccc1)F
InChI:
InChI=1S/C22H22F2N2O3/c23-17-6-7-19(24)18(14-17)21(28)25-12-10-22(11-13-25)9-8-20(27)26(22)29-15-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2
InChIKey:
ODFYSUJQFFJTGL-UHFFFAOYSA-N

Cite this record

CBID:320242 http://www.chembase.cn/molecule-320242.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(benzyloxy)-8-(2,5-difluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one
IUPAC Traditional name
1-(benzyloxy)-8-(2,5-difluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one
Synonyms
1-(benzyloxy)-8-(2,5-difluorobenzoyl)-1,8-diazaspiro[4.5]decan-2-one

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Donor LogD (pH = 5.5) 2.8366902 
LogD (pH = 7.4) 2.8366902  Log P 2.8366902 
Molar Refractivity 103.8326 cm3 Polarizability 39.174526 Å3
Polar Surface Area 49.85 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor Log P 1.64 
LOG S -3.52  Polar Surface Area 49.85 Å2
Rotatable Bonds H Acceptors

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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