NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
|
|
|
IUPAC Traditional name
|
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
|
|
|
Synonyms
|
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
12.766569
|
H Acceptors
|
5
|
H Donor
|
1
|
LogD (pH = 5.5)
|
2.4509382
|
LogD (pH = 7.4)
|
2.4515765
|
Log P
|
2.4515862
|
Molar Refractivity
|
75.5317 cm3
|
Polarizability
|
28.29858 Å3
|
Polar Surface Area
|
73.07 Å2
|
Rotatable Bonds
|
5
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
5
|
H Donor
|
1
|
Log P
|
2.45
|
LOG S
|
-3.79
|
Polar Surface Area
|
73.07 Å2
|
Rotatable Bonds
|
5
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent