NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
3-methyl-2-(3-methylphenoxy)-1-[3-(pyridin-3-yl)azetidin-1-yl]butan-1-one
|
|
|
IUPAC Traditional name
|
3-methyl-2-(3-methylphenoxy)-1-[3-(pyridin-3-yl)azetidin-1-yl]butan-1-one
|
|
|
Synonyms
|
3-{1-[3-methyl-2-(3-methylphenoxy)butanoyl]-3-azetidinyl}pyridine
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
16.473684
|
H Acceptors
|
3
|
H Donor
|
0
|
LogD (pH = 5.5)
|
3.1029155
|
LogD (pH = 7.4)
|
3.1863341
|
Log P
|
3.1875381
|
Molar Refractivity
|
94.003 cm3
|
Polarizability
|
36.676968 Å3
|
Polar Surface Area
|
42.43 Å2
|
Rotatable Bonds
|
5
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
3
|
H Donor
|
0
|
Log P
|
2.8
|
LOG S
|
-2.66
|
Polar Surface Area
|
42.43 Å2
|
Rotatable Bonds
|
5
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent