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5-{1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl}-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione

ChemBase ID: 360395
Molecular Formular: C26H31F2N3O4
Molecular Mass: 487.5388464
Monoisotopic Mass: 487.22826293
SMILES and InChIs

SMILES:
N1(C(=O)NC(C1=O)(C1CCN(Cc2c(ccc(c2)OC)F)CC1)Cc1ccc(F)cc1)CCOC
Canonical SMILES:
COCCN1C(=O)NC(C1=O)(Cc1ccc(cc1)F)C1CCN(CC1)Cc1cc(OC)ccc1F
InChI:
InChI=1S/C26H31F2N3O4/c1-34-14-13-31-24(32)26(29-25(31)33,16-18-3-5-21(27)6-4-18)20-9-11-30(12-10-20)17-19-15-22(35-2)7-8-23(19)28/h3-8,15,20H,9-14,16-17H2,1-2H3,(H,29,33)
InChIKey:
COCYVYRIXGETSL-UHFFFAOYSA-N

Cite this record

CBID:360395 http://www.chembase.cn/molecule-360395.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-{1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl}-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
IUPAC Traditional name
5-{1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-4-yl}-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
Synonyms
5-(4-fluorobenzyl)-5-[1-(2-fluoro-5-methoxybenzyl)-4-piperidinyl]-3-(2-methoxyethyl)-2,4-imidazolidinedione

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)
Acid pKa 10.202575  H Acceptors
H Donor LogD (pH = 5.5) 1.203756 
LogD (pH = 7.4) 2.9027386  Log P 3.3671412 
Molar Refractivity 127.8416 cm3 Polarizability 48.946327 Å3
Polar Surface Area 71.11 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.7  LOG S -3.73 
Polar Surface Area 71.11 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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