NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
3-(furan-2-yl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
|
|
|
IUPAC Traditional name
|
3-(furan-2-yl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
|
|
|
Synonyms
|
1-[3-(2-furyl)propanoyl]-4-(4-pyridinylmethyl)-1,4-diazepane
|
|
|
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)
|
-1.0253576
|
LogD (pH = 7.4)
|
0.63224065
|
Log P
|
1.0141915
|
Molar Refractivity
|
89.4983 cm3
|
Polarizability
|
34.462425 Å3
|
Polar Surface Area
|
49.58 Å2
|
Rotatable Bonds
|
5
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
4
|
H Donor
|
0
|
Log P
|
1.38
|
LOG S
|
-1.36
|
Polar Surface Area
|
49.58 Å2
|
Rotatable Bonds
|
5
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent