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1-[(2-fluorophenyl)methoxy]-8-(furan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

ChemBase ID: 350076
Molecular Formular: C20H23FN2O3
Molecular Mass: 358.4066232
Monoisotopic Mass: 358.16927083
SMILES and InChIs

SMILES:
N1(C2(CCN(Cc3cocc3)CC2)CCC1=O)OCc1c(F)cccc1
Canonical SMILES:
O=C1CCC2(N1OCc1ccccc1F)CCN(CC2)Cc1ccoc1
InChI:
InChI=1S/C20H23FN2O3/c21-18-4-2-1-3-17(18)15-26-23-19(24)5-7-20(23)8-10-22(11-9-20)13-16-6-12-25-14-16/h1-4,6,12,14H,5,7-11,13,15H2
InChIKey:
RVPXENFGIUWXQP-UHFFFAOYSA-N

Cite this record

CBID:350076 http://www.chembase.cn/molecule-350076.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(2-fluorophenyl)methoxy]-8-(furan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
IUPAC Traditional name
1-[(2-fluorophenyl)methoxy]-8-(furan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
Synonyms
1-[(2-fluorobenzyl)oxy]-8-(3-furylmethyl)-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 Acceptors H Donor
LogD (pH = 5.5) -0.02491504  LogD (pH = 7.4) 1.7428998 
Log P 2.4776382  Molar Refractivity 95.8005 cm3
Polarizability 36.849876 Å3 Polar Surface Area 45.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.22  LOG S -3.71 
Polar Surface Area 45.92 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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