NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
4-(1-benzofuran-2-carbonyl)-6-[(dimethyl-1,2-oxazol-4-yl)methoxy]-1-(2-methylpropyl)-1,4-diazepan-2-one
|
|
|
IUPAC Traditional name
|
4-(1-benzofuran-2-carbonyl)-6-[(dimethyl-1,2-oxazol-4-yl)methoxy]-1-(2-methylpropyl)-1,4-diazepan-2-one
|
|
|
Synonyms
|
4-(1-benzofuran-2-ylcarbonyl)-6-[(3,5-dimethyl-4-isoxazolyl)methoxy]-1-isobutyl-1,4-diazepan-2-one
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
18.43066
|
H Acceptors
|
4
|
H Donor
|
0
|
LogD (pH = 5.5)
|
1.9742401
|
LogD (pH = 7.4)
|
1.974275
|
Log P
|
1.9742754
|
Molar Refractivity
|
119.6333 cm3
|
Polarizability
|
46.25358 Å3
|
Polar Surface Area
|
89.02 Å2
|
Rotatable Bonds
|
6
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
6
|
H Donor
|
0
|
Log P
|
3.91
|
LOG S
|
-3.82
|
Polar Surface Area
|
89.02 Å2
|
Rotatable Bonds
|
5
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent