NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-[(2-chlorophenyl)methyl]-N-cyclohexyl-N-(prop-2-yn-1-yl)-1H-1,2,3-triazole-4-carboxamide
|
|
|
IUPAC Traditional name
|
1-[(2-chlorophenyl)methyl]-N-cyclohexyl-N-(prop-2-yn-1-yl)-1,2,3-triazole-4-carboxamide
|
|
|
Synonyms
|
1-(2-chlorobenzyl)-N-cyclohexyl-N-2-propyn-1-yl-1H-1,2,3-triazole-4-carboxamide
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
H Acceptors
|
3
|
H Donor
|
0
|
LogD (pH = 5.5)
|
4.059944
|
LogD (pH = 7.4)
|
4.059944
|
Log P
|
4.059944
|
Molar Refractivity
|
109.83 cm3
|
Polarizability
|
37.088737 Å3
|
Polar Surface Area
|
51.02 Å2
|
Rotatable Bonds
|
5
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
4
|
H Donor
|
0
|
Log P
|
3.5
|
LOG S
|
-4.59
|
Polar Surface Area
|
51.02 Å2
|
Rotatable Bonds
|
6
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent