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3-(cyclopropylmethyl)-5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione

ChemBase ID: 341009
Molecular Formular: C26H30FN3O4
Molecular Mass: 467.5325032
Monoisotopic Mass: 467.22203468
SMILES and InChIs

SMILES:
N1(C(=O)NC(C1=O)(C1CCN(C(=O)c2c(oc(c2)C)C)CC1)Cc1ccc(F)cc1)CC1CC1
Canonical SMILES:
Fc1ccc(cc1)CC1(NC(=O)N(C1=O)CC1CC1)C1CCN(CC1)C(=O)c1cc(oc1C)C
InChI:
InChI=1S/C26H30FN3O4/c1-16-13-22(17(2)34-16)23(31)29-11-9-20(10-12-29)26(14-18-5-7-21(27)8-6-18)24(32)30(25(33)28-26)15-19-3-4-19/h5-8,13,19-20H,3-4,9-12,14-15H2,1-2H3,(H,28,33)
InChIKey:
KSKRPVHKQPHTOL-UHFFFAOYSA-N

Cite this record

CBID:341009 http://www.chembase.cn/molecule-341009.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(cyclopropylmethyl)-5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
IUPAC Traditional name
3-(cyclopropylmethyl)-5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
Synonyms
3-(cyclopropylmethyl)-5-[1-(2,5-dimethyl-3-furoyl)-4-piperidinyl]-5-(4-fluorobenzyl)-2,4-imidazolidinedione

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13958716 external link Add to cart
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 10.527463  H Acceptors
H Donor LogD (pH = 5.5) 3.105623 
LogD (pH = 7.4) 3.105307  Log P 3.105627 
Molar Refractivity 125.2024 cm3 Polarizability 47.062733 Å3
Polar Surface Area 82.86 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.16  LOG S -6.0 
Polar Surface Area 82.86 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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