NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2-[(quinoxalin-2-ylmethyl)(thiophen-3-ylmethyl)amino]butan-1-ol
|
|
|
IUPAC Traditional name
|
2-[(quinoxalin-2-ylmethyl)(thiophen-3-ylmethyl)amino]butan-1-ol
|
|
|
Synonyms
|
2-[(quinoxalin-2-ylmethyl)(3-thienylmethyl)amino]butan-1-ol
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
15.111842
|
H Acceptors
|
4
|
H Donor
|
1
|
LogD (pH = 5.5)
|
1.301974
|
LogD (pH = 7.4)
|
2.8330674
|
Log P
|
3.0758574
|
Molar Refractivity
|
92.4244 cm3
|
Polarizability
|
37.50156 Å3
|
Polar Surface Area
|
49.25 Å2
|
Rotatable Bonds
|
7
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
4
|
H Donor
|
1
|
Log P
|
2.8
|
LOG S
|
-2.97
|
Polar Surface Area
|
49.25 Å2
|
Rotatable Bonds
|
7
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent