NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-{1-[(1-{[3-(methylsulfanyl)phenyl]methyl}piperidin-4-yl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
|
|
|
IUPAC Traditional name
|
1-{1-[(1-{[3-(methylsulfanyl)phenyl]methyl}piperidin-4-yl)methyl]-1,2,3-triazol-4-yl}ethanol
|
|
|
Synonyms
|
1-[1-({1-[3-(methylthio)benzyl]-4-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]ethanol
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
13.818937
|
H Acceptors
|
4
|
H Donor
|
1
|
LogD (pH = 5.5)
|
-0.19157718
|
LogD (pH = 7.4)
|
1.5452217
|
Log P
|
2.7432134
|
Molar Refractivity
|
111.7466 cm3
|
Polarizability
|
38.639782 Å3
|
Polar Surface Area
|
54.18 Å2
|
Rotatable Bonds
|
6
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
4
|
H Donor
|
1
|
Log P
|
1.76
|
LOG S
|
-2.23
|
Polar Surface Area
|
54.18 Å2
|
Rotatable Bonds
|
6
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent