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8-[(2-ethoxyphenyl)methyl]-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one

ChemBase ID: 340805
Molecular Formular: C24H29FN2O3
Molecular Mass: 412.4970632
Monoisotopic Mass: 412.21622102
SMILES and InChIs

SMILES:
N1(C2(CCN(Cc3c(OCC)cccc3)CC2)CCC1=O)OCc1c(F)cccc1
Canonical SMILES:
CCOc1ccccc1CN1CCC2(CC1)CCC(=O)N2OCc1ccccc1F
InChI:
InChI=1S/C24H29FN2O3/c1-2-29-22-10-6-4-7-19(22)17-26-15-13-24(14-16-26)12-11-23(28)27(24)30-18-20-8-3-5-9-21(20)25/h3-10H,2,11-18H2,1H3
InChIKey:
GRMVMZMQJLNVOQ-UHFFFAOYSA-N

Cite this record

CBID:340805 http://www.chembase.cn/molecule-340805.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-[(2-ethoxyphenyl)methyl]-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one
IUPAC Traditional name
8-[(2-ethoxyphenyl)methyl]-1-[(2-fluorophenyl)methoxy]-1,8-diazaspiro[4.5]decan-2-one
Synonyms
8-(2-ethoxybenzyl)-1-[(2-fluorobenzyl)oxy]-1,8-diazaspiro[4.5]decan-2-one

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)
H Acceptors H Donor
LogD (pH = 5.5) 0.9564146  LogD (pH = 7.4) 2.7293763 
Log P 3.5365293  Molar Refractivity 114.4989 cm3
Polarizability 44.314854 Å3 Polar Surface Area 42.01 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.51  LOG S -5.21 
Polar Surface Area 42.01 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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