NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-(1H-1,2,4-triazol-1-yl)butan-1-one
|
|
|
IUPAC Traditional name
|
1-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
|
|
|
Synonyms
|
1-(4-methoxyphenyl)-2,2-dimethyl-4-[4-(1H-1,2,4-triazol-1-yl)butanoyl]piperazine
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
H Acceptors
|
5
|
H Donor
|
0
|
LogD (pH = 5.5)
|
1.622317
|
LogD (pH = 7.4)
|
1.6361935
|
Log P
|
1.6363732
|
Molar Refractivity
|
113.3589 cm3
|
Polarizability
|
38.409275 Å3
|
Polar Surface Area
|
63.49 Å2
|
Rotatable Bonds
|
6
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
4
|
H Donor
|
0
|
Log P
|
1.21
|
LOG S
|
-2.84
|
Polar Surface Area
|
63.49 Å2
|
Rotatable Bonds
|
6
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent