NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-(2-{1-ethyl-3-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-yl}ethyl)-1,2-dihydropyridin-2-one
|
|
|
IUPAC Traditional name
|
1-(2-{2-ethyl-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl}ethyl)pyridin-2-one
|
|
|
Synonyms
|
1-{2-[1-ethyl-3-(2-methoxybenzyl)-1H-1,2,4-triazol-5-yl]ethyl}pyridin-2(1H)-one
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Polar Surface Area
|
60.25 Å2
|
Rotatable Bonds
|
7
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
4
|
H Donor
|
0
|
LogD (pH = 5.5)
|
2.7111895
|
LogD (pH = 7.4)
|
2.7112381
|
Log P
|
2.7112389
|
Molar Refractivity
|
110.2166 cm3
|
Polarizability
|
36.616203 Å3
|
Polar Surface Area
|
61.94 Å2
|
Rotatable Bonds
|
7
|
H Acceptors
|
4
|
H Donor
|
0
|
Log P
|
1.77
|
LOG S
|
-3.18
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent