NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)piperidine
|
|
|
IUPAC Traditional name
|
4-(4-methyl-1,2,4-triazol-3-yl)-1-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)piperidine
|
|
|
Synonyms
|
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)piperidine
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
H Acceptors
|
4
|
H Donor
|
0
|
LogD (pH = 5.5)
|
-1.4870423
|
LogD (pH = 7.4)
|
-0.27171952
|
Log P
|
1.9191624
|
Molar Refractivity
|
97.4645 cm3
|
Polarizability
|
36.62385 Å3
|
Polar Surface Area
|
43.18 Å2
|
Rotatable Bonds
|
3
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
4
|
H Donor
|
0
|
Log P
|
2.75
|
LOG S
|
-2.92
|
Polar Surface Area
|
43.18 Å2
|
Rotatable Bonds
|
3
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent