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3-{2-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-oxoethyl}imidazolidine-2,4-dione

ChemBase ID: 398742
Molecular Formular: C17H21N3O5
Molecular Mass: 347.36574
Monoisotopic Mass: 347.14812079
SMILES and InChIs

SMILES:
N1(C(=O)NCC1=O)CC(=O)N1CCC(Oc2c(OC)cccc2)CC1
Canonical SMILES:
COc1ccccc1OC1CCN(CC1)C(=O)CN1C(=O)CNC1=O
InChI:
InChI=1S/C17H21N3O5/c1-24-13-4-2-3-5-14(13)25-12-6-8-19(9-7-12)16(22)11-20-15(21)10-18-17(20)23/h2-5,12H,6-11H2,1H3,(H,18,23)
InChIKey:
YWAMSDLCBJYVLG-UHFFFAOYSA-N

Cite this record

CBID:398742 http://www.chembase.cn/molecule-398742.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{2-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-oxoethyl}imidazolidine-2,4-dione
IUPAC Traditional name
3-{2-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-oxoethyl}imidazolidine-2,4-dione
Synonyms
3-{2-[4-(2-methoxyphenoxy)-1-piperidinyl]-2-oxoethyl}-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)
Molar Refractivity 88.0904 cm3 Polarizability 34.207844 Å3
Polar Surface Area 88.18 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 11.891942 
H Acceptors H Donor
LogD (pH = 5.5) -0.6136118  LogD (pH = 7.4) -0.61362547 
Log P -0.61361164 
Polar Surface Area 88.18 Å2 Rotatable Bonds
H Acceptors H Donor
Log P 0.38  LOG S -2.06 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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