NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2-{[5-(1H-imidazol-1-ylmethyl)-4-(2-methoxy-5-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
|
|
|
IUPAC Traditional name
|
{[5-(imidazol-1-ylmethyl)-4-(2-methoxy-5-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl}acetic acid
|
|
|
Synonyms
|
{[5-(1H-imidazol-1-ylmethyl)-4-(2-methoxy-5-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}acetic acid
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
3.680158
|
H Acceptors
|
6
|
H Donor
|
1
|
LogD (pH = 5.5)
|
0.6758563
|
LogD (pH = 7.4)
|
-0.055221293
|
Log P
|
0.701445
|
Molar Refractivity
|
105.9825 cm3
|
Polarizability
|
36.296616 Å3
|
Polar Surface Area
|
95.06 Å2
|
Rotatable Bonds
|
6
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
6
|
H Donor
|
1
|
Log P
|
2.59
|
LOG S
|
-3.64
|
Polar Surface Area
|
95.06 Å2
|
Rotatable Bonds
|
7
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent