NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
N-{[3-(dimethylamino)thiolan-3-yl]methyl}-5-(3-hydroxy-3-methylbut-1-yn-1-yl)furan-2-carboxamide
|
|
|
IUPAC Traditional name
|
N-{[3-(dimethylamino)thiolan-3-yl]methyl}-5-(3-hydroxy-3-methylbut-1-yn-1-yl)furan-2-carboxamide
|
|
|
Synonyms
|
N-{[3-(dimethylamino)tetrahydro-3-thienyl]methyl}-5-(3-hydroxy-3-methylbut-1-yn-1-yl)-2-furamide
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
13.465132
|
H Acceptors
|
3
|
H Donor
|
2
|
LogD (pH = 5.5)
|
-1.971582
|
LogD (pH = 7.4)
|
-0.24966773
|
Log P
|
1.0106621
|
Molar Refractivity
|
91.4567 cm3
|
Polarizability
|
35.52471 Å3
|
Polar Surface Area
|
65.71 Å2
|
Rotatable Bonds
|
6
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
4
|
H Donor
|
2
|
Log P
|
0.79
|
LOG S
|
-2.33
|
Polar Surface Area
|
65.71 Å2
|
Rotatable Bonds
|
6
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent