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4-[1-({2-[2-(1H-imidazol-1-yl)ethoxy]-3-methoxyphenyl}methyl)azetidin-3-yl]morpholine

ChemBase ID: 865514
Molecular Formular: C20H28N4O3
Molecular Mass: 372.46132
Monoisotopic Mass: 372.21614078
SMILES and InChIs

SMILES:
N1(Cc2c(c(OC)ccc2)OCCn2cncc2)CC(N2CCOCC2)C1
Canonical SMILES:
COc1cccc(c1OCCn1cncc1)CN1CC(C1)N1CCOCC1
InChI:
InChI=1S/C20H28N4O3/c1-25-19-4-2-3-17(20(19)27-12-7-22-6-5-21-16-22)13-23-14-18(15-23)24-8-10-26-11-9-24/h2-6,16,18H,7-15H2,1H3
InChIKey:
YVVJPLCVYDFWKV-UHFFFAOYSA-N

Cite this record

CBID:865514 http://www.chembase.cn/molecule-865514.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[1-({2-[2-(1H-imidazol-1-yl)ethoxy]-3-methoxyphenyl}methyl)azetidin-3-yl]morpholine
IUPAC Traditional name
4-[1-({2-[2-(imidazol-1-yl)ethoxy]-3-methoxyphenyl}methyl)azetidin-3-yl]morpholine
Synonyms
4-(1-{2-[2-(1H-imidazol-1-yl)ethoxy]-3-methoxybenzyl}azetidin-3-yl)morpholine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -0.77847755  LogD (pH = 7.4) 1.0015639 
Log P 1.1946132  Molar Refractivity 104.2624 cm3
Polarizability 40.554504 Å3 Polar Surface Area 51.99 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.49  LOG S -0.49 
Polar Surface Area 51.99 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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