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

ChemBase ID: 323913
Molecular Formular: C27H36FN3O4
Molecular Mass: 485.5908432
Monoisotopic Mass: 485.26898487
SMILES and InChIs

SMILES:
N1(C(=O)NC(C1=O)(Cc1cc(F)ccc1)C1CCN(CCC(c2oc(cc2)C)C)CC1)CCOC
Canonical SMILES:
COCCN1C(=O)NC(C1=O)(Cc1cccc(c1)F)C1CCN(CC1)CCC(c1ccc(o1)C)C
InChI:
InChI=1S/C27H36FN3O4/c1-19(24-8-7-20(2)35-24)9-12-30-13-10-22(11-14-30)27(18-21-5-4-6-23(28)17-21)25(32)31(15-16-34-3)26(33)29-27/h4-8,17,19,22H,9-16,18H2,1-3H3,(H,29,33)
InChIKey:
OLCVOCFBPHWZFV-UHFFFAOYSA-N

Cite this record

CBID:323913 http://www.chembase.cn/molecule-323913.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 10.8213625  H Acceptors
H Donor LogD (pH = 5.5) 0.37433565 
LogD (pH = 7.4) 1.9589906  Log P 3.47653 
Molar Refractivity 132.6842 cm3 Polarizability 50.80771 Å3
Polar Surface Area 75.02 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.09  LOG S -5.74 
Polar Surface Area 75.02 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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