NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
5-acetyl-2-amino-4-(4-methoxyphenyl)-6-methyl-4H-pyran-3-carbonitrile
|
|
|
IUPAC Traditional name
|
5-acetyl-2-amino-4-(4-methoxyphenyl)-6-methyl-4H-pyran-3-carbonitrile
|
|
|
Synonyms
|
5-Acetyl-2-amino-4-(4-methoxyphenyl)-6-methyl-4H-pyran-3-carbonitrile
|
5-乙酰基-2-氨基-4-(4-甲氧苯基)-6-甲基-4H-吡喃-3-甲腈
|
|
|
CAS Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
19.046066
|
H Acceptors
|
5
|
H Donor
|
1
|
LogD (pH = 5.5)
|
1.3994942
|
LogD (pH = 7.4)
|
1.3996128
|
Log P
|
1.3996143
|
Molar Refractivity
|
89.7314 cm3
|
Polarizability
|
29.955336 Å3
|
Polar Surface Area
|
85.34 Å2
|
Rotatable Bonds
|
3
|
Lipinski's Rule of Five
|
true
|
DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent