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4-[5-(morpholine-4-carbonyl)pyridin-2-yl]-2-(trifluoromethyl)morpholine

ChemBase ID: 323891
Molecular Formular: C15H18F3N3O3
Molecular Mass: 345.3169296
Monoisotopic Mass: 345.13002611
SMILES and InChIs

SMILES:
C(C1CN(c2ncc(C(=O)N3CCOCC3)cc2)CCO1)(F)(F)F
Canonical SMILES:
O=C(c1ccc(nc1)N1CCOC(C1)C(F)(F)F)N1CCOCC1
InChI:
InChI=1S/C15H18F3N3O3/c16-15(17,18)12-10-21(5-8-24-12)13-2-1-11(9-19-13)14(22)20-3-6-23-7-4-20/h1-2,9,12H,3-8,10H2
InChIKey:
GEDOVAXUPOORCM-UHFFFAOYSA-N

Cite this record

CBID:323891 http://www.chembase.cn/molecule-323891.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[5-(morpholine-4-carbonyl)pyridin-2-yl]-2-(trifluoromethyl)morpholine
IUPAC Traditional name
4-[5-(morpholine-4-carbonyl)pyridin-2-yl]-2-(trifluoromethyl)morpholine
Synonyms
4-[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]-2-(trifluoromethyl)morpholine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11497444 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)
H Acceptors H Donor
LogD (pH = 5.5) 1.2557206  LogD (pH = 7.4) 1.3328451 
Log P 1.3339297  Molar Refractivity 80.7843 cm3
Polarizability 29.414968 Å3 Polar Surface Area 54.9 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.37  LOG S -2.71 
Polar Surface Area 54.9 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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