NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-{[(3R,4R)-1-(3,4-difluorobenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl}piperidin-4-ol
|
|
|
IUPAC Traditional name
|
1-{[(3R,4R)-1-(3,4-difluorobenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl}piperidin-4-ol
|
|
|
Synonyms
|
1-{[(3R*,4R*)-1-(3,4-difluorobenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl}piperidin-4-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
|
14.981168
|
H Acceptors
|
4
|
H Donor
|
2
|
LogD (pH = 5.5)
|
-3.1571894
|
LogD (pH = 7.4)
|
-1.4812022
|
Log P
|
-0.07105242
|
Molar Refractivity
|
90.9577 cm3
|
Polarizability
|
34.16963 Å3
|
Polar Surface Area
|
64.01 Å2
|
Rotatable Bonds
|
4
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
4
|
H Donor
|
2
|
Log P
|
-0.81
|
LOG S
|
-2.4
|
Polar Surface Area
|
64.01 Å2
|
Rotatable Bonds
|
4
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent