NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
methyl({[5-(methylsulfanyl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]methyl})[(4-phenylphenyl)methyl]amine
|
|
|
IUPAC Traditional name
|
methyl({[5-(methylsulfanyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl})[(4-phenylphenyl)methyl]amine
|
|
|
Synonyms
|
(4-biphenylylmethyl)methyl{[5-(methylthio)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]methyl}amine
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Polarizability
|
47.88979 Å3
|
Polar Surface Area
|
43.18 Å2
|
Rotatable Bonds
|
8
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
4
|
H Donor
|
0
|
LogD (pH = 5.5)
|
3.3765361
|
LogD (pH = 7.4)
|
4.2024946
|
Log P
|
4.235318
|
Molar Refractivity
|
122.2311 cm3
|
Polar Surface Area
|
43.18 Å2
|
Rotatable Bonds
|
7
|
H Acceptors
|
5
|
H Donor
|
0
|
Log P
|
2.66
|
LOG S
|
-4.79
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent