NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
[4-(naphthalen-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](pyridin-3-yl)methanol
|
|
|
IUPAC Traditional name
|
[4-(naphthalen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl](pyridin-3-yl)methanol
|
|
|
Synonyms
|
[4-(2-naphthylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl](3-pyridinyl)methanol
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
13.490645
|
H Acceptors
|
4
|
H Donor
|
1
|
LogD (pH = 5.5)
|
1.9117188
|
LogD (pH = 7.4)
|
3.651077
|
Log P
|
4.098614
|
Molar Refractivity
|
119.0995 cm3
|
Polarizability
|
47.48893 Å3
|
Polar Surface Area
|
45.59 Å2
|
Rotatable Bonds
|
4
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
4
|
H Donor
|
1
|
Log P
|
3.72
|
LOG S
|
-4.57
|
Polar Surface Area
|
45.59 Å2
|
Rotatable Bonds
|
4
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent