NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
3-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one
|
|
|
IUPAC Traditional name
|
3-[2-(hydroxymethyl)-1,3-benzodiazol-1-yl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-1-one
|
|
|
Synonyms
|
{1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-benzimidazol-2-yl}methanol
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
13.973814
|
H Acceptors
|
6
|
H Donor
|
1
|
LogD (pH = 5.5)
|
0.58580154
|
LogD (pH = 7.4)
|
0.6372212
|
Log P
|
0.63791776
|
Molar Refractivity
|
101.5666 cm3
|
Polarizability
|
39.417862 Å3
|
Polar Surface Area
|
87.38 Å2
|
Rotatable Bonds
|
5
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
5
|
H Donor
|
1
|
Log P
|
1.65
|
LOG S
|
-3.28
|
Polar Surface Area
|
87.38 Å2
|
Rotatable Bonds
|
5
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent