NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-(4-methoxyphenyl)-6,6-dimethyl-4-{2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl}piperazin-2-one
|
|
|
IUPAC Traditional name
|
1-(4-methoxyphenyl)-6,6-dimethyl-4-{2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl}piperazin-2-one
|
|
|
Synonyms
|
1-(4-methoxyphenyl)-6,6-dimethyl-4-{[(4-methyl-1,3-thiazol-2-yl)thio]acetyl}-2-piperazinone
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
15.262935
|
H Acceptors
|
4
|
H Donor
|
0
|
LogD (pH = 5.5)
|
2.0272017
|
LogD (pH = 7.4)
|
2.027241
|
Log P
|
2.0272417
|
Molar Refractivity
|
106.9669 cm3
|
Polarizability
|
41.497734 Å3
|
Polar Surface Area
|
62.74 Å2
|
Rotatable Bonds
|
5
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
4
|
H Donor
|
0
|
Log P
|
4.74
|
LOG S
|
-3.52
|
Polar Surface Area
|
62.74 Å2
|
Rotatable Bonds
|
4
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent