NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
3-({4-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)phenol
|
|
|
IUPAC Traditional name
|
3-({4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)phenol
|
|
|
Synonyms
|
3-({4-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)phenol
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
9.450993
|
H Acceptors
|
6
|
H Donor
|
1
|
LogD (pH = 5.5)
|
-1.7472346
|
LogD (pH = 7.4)
|
0.09225312
|
Log P
|
0.7377105
|
Molar Refractivity
|
107.8304 cm3
|
Polarizability
|
40.68603 Å3
|
Polar Surface Area
|
66.65 Å2
|
Rotatable Bonds
|
5
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
6
|
H Donor
|
1
|
Log P
|
0.86
|
LOG S
|
-1.05
|
Polar Surface Area
|
66.65 Å2
|
Rotatable Bonds
|
5
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent