NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-{2-[1-(2H-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]ethyl}-6-methyl-1,2-dihydropyridin-2-one
|
|
|
IUPAC Traditional name
|
1-{2-[2-(2H-1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]ethyl}-6-methylpyridin-2-one
|
|
|
Synonyms
|
1-{2-[1-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]ethyl}-6-methylpyridin-2(1H)-one
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
供应商提供(Chembridge)
JChem
Rotatable Bonds
|
4
|
H Acceptors
|
5
|
H Donor
|
0
|
Log P
|
1.93
|
LOG S
|
-3.21
|
Polar Surface Area
|
71.17 Å2
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
5
|
H Donor
|
0
|
LogD (pH = 5.5)
|
1.4997569
|
LogD (pH = 7.4)
|
1.4997948
|
Log P
|
1.4997953
|
Molar Refractivity
|
90.7028 cm3
|
Polarizability
|
33.724922 Å3
|
Polar Surface Area
|
69.48 Å2
|
Rotatable Bonds
|
4
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent