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5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(pyridin-2-yl)-3-[2-(thiophen-2-yl)ethyl]imidazolidine-2,4-dione

ChemBase ID: 340300
Molecular Formular: C27H34N4O3S
Molecular Mass: 494.64886
Monoisotopic Mass: 494.23516197
SMILES and InChIs

SMILES:
N1(C(=O)C(NC1=O)(c1ncccc1)C1CCN(C(=O)CCC2CCCC2)CC1)CCc1sccc1
Canonical SMILES:
O=C(N1CCC(CC1)C1(NC(=O)N(C1=O)CCc1cccs1)c1ccccn1)CCC1CCCC1
InChI:
InChI=1S/C27H34N4O3S/c32-24(11-10-20-6-1-2-7-20)30-16-12-21(13-17-30)27(23-9-3-4-15-28-23)25(33)31(26(34)29-27)18-14-22-8-5-19-35-22/h3-5,8-9,15,19-21H,1-2,6-7,10-14,16-18H2,(H,29,34)
InChIKey:
JVTNGQJQNPYMNP-UHFFFAOYSA-N

Cite this record

CBID:340300 http://www.chembase.cn/molecule-340300.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(pyridin-2-yl)-3-[2-(thiophen-2-yl)ethyl]imidazolidine-2,4-dione
IUPAC Traditional name
5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(pyridin-2-yl)-3-[2-(thiophen-2-yl)ethyl]imidazolidine-2,4-dione
Synonyms
5-[1-(3-cyclopentylpropanoyl)-4-piperidinyl]-5-(2-pyridinyl)-3-[2-(2-thienyl)ethyl]-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 10.552148  H Acceptors
H Donor LogD (pH = 5.5) 3.8901043 
LogD (pH = 7.4) 3.8960586  Log P 3.8964415 
Molar Refractivity 134.422 cm3 Polarizability 52.280563 Å3
Polar Surface Area 82.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.58  LOG S -7.03 
Polar Surface Area 82.61 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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