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2-(4-fluorophenyl)-N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)acetamide

ChemBase ID: 370430
Molecular Formular: C27H30FN3O3
Molecular Mass: 463.5438032
Monoisotopic Mass: 463.22712006
SMILES and InChIs

SMILES:
C(=O)(N(Cc1cc(OCCN2CCOCC2)ccc1)Cc1ncccc1)Cc1ccc(F)cc1
Canonical SMILES:
Fc1ccc(cc1)CC(=O)N(Cc1ccccn1)Cc1cccc(c1)OCCN1CCOCC1
InChI:
InChI=1S/C27H30FN3O3/c28-24-9-7-22(8-10-24)19-27(32)31(21-25-5-1-2-11-29-25)20-23-4-3-6-26(18-23)34-17-14-30-12-15-33-16-13-30/h1-11,18H,12-17,19-21H2
InChIKey:
OCSLWPFLBFILCT-UHFFFAOYSA-N

Cite this record

CBID:370430 http://www.chembase.cn/molecule-370430.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-fluorophenyl)-N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)acetamide
IUPAC Traditional name
2-(4-fluorophenyl)-N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)acetamide
Synonyms
2-(4-fluorophenyl)-N-{3-[2-(4-morpholinyl)ethoxy]benzyl}-N-(2-pyridinylmethyl)acetamide

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) 2.1473396  LogD (pH = 7.4) 3.276971 
Log P 3.349324  Molar Refractivity 129.3005 cm3
Polarizability 50.05255 Å3 Polar Surface Area 54.9 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.79  LOG S -3.77 
Polar Surface Area 54.9 Å2 Rotatable Bonds 10 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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