NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
N,N-diethyl-3-(2,4,6-trimethylbenzenesulfonyl)-1H-1,2,4-triazole-1-carboxamide
|
|
|
IUPAC Traditional name
|
|
Synonyms
|
N,N-Diethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamide
|
Cafenstrole
|
苯酮唑
|
N,N-二乙基-3-均三甲基苯磺酰基-1H-1,2,4-三唑-1-甲酰胺
|
|
|
CAS Number
|
|
MDL Number
|
|
Beilstein Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
5
|
H Donor
|
0
|
LogD (pH = 5.5)
|
2.9120266
|
LogD (pH = 7.4)
|
2.9120266
|
Log P
|
2.9120266
|
Molar Refractivity
|
94.7589 cm3
|
Polarizability
|
36.06911 Å3
|
Polar Surface Area
|
85.16 Å2
|
Rotatable Bonds
|
4
|
Lipinski's Rule of Five
|
true
|
DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
32430
|
Legal Information PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH |
PATENTS
PATENTS
PubChem Patent
Google Patent