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5-{1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl}-3-(oxolan-2-ylmethyl)-5-(pyridin-2-yl)imidazolidine-2,4-dione

ChemBase ID: 320814
Molecular Formular: C26H28F2N4O4
Molecular Mass: 498.5217264
Monoisotopic Mass: 498.20786184
SMILES and InChIs

SMILES:
N1(C(=O)C(NC1=O)(c1ncccc1)C1CCN(C(=O)Cc2cc(c(cc2)F)F)CC1)CC1OCCC1
Canonical SMILES:
O=C(N1CCC(CC1)C1(NC(=O)N(C1=O)CC1CCCO1)c1ccccn1)Cc1ccc(c(c1)F)F
InChI:
InChI=1S/C26H28F2N4O4/c27-20-7-6-17(14-21(20)28)15-23(33)31-11-8-18(9-12-31)26(22-5-1-2-10-29-22)24(34)32(25(35)30-26)16-19-4-3-13-36-19/h1-2,5-7,10,14,18-19H,3-4,8-9,11-13,15-16H2,(H,30,35)
InChIKey:
OSLUUKOIKDRSET-UHFFFAOYSA-N

Cite this record

CBID:320814 http://www.chembase.cn/molecule-320814.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-{1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl}-3-(oxolan-2-ylmethyl)-5-(pyridin-2-yl)imidazolidine-2,4-dione
IUPAC Traditional name
5-{1-[2-(3,4-difluorophenyl)acetyl]piperidin-4-yl}-3-(oxolan-2-ylmethyl)-5-(pyridin-2-yl)imidazolidine-2,4-dione
Synonyms
5-{1-[(3,4-difluorophenyl)acetyl]-4-piperidinyl}-5-(2-pyridinyl)-3-(tetrahydro-2-furanylmethyl)-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 10.411369  H Acceptors
H Donor LogD (pH = 5.5) 2.2003164 
LogD (pH = 7.4) 2.2061563  Log P 2.2066548 
Molar Refractivity 125.6862 cm3 Polarizability 48.239143 Å3
Polar Surface Area 91.84 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.14  LOG S -6.04 
Polar Surface Area 91.84 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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