NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
methyl 5-amino-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate
|
|
|
IUPAC Traditional name
|
methyl 5-amino-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate
|
|
|
Synonyms
|
methyl 5-amino-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate
|
Methyl 5-amino-4-cyano-3-(2-methoxy-2-oxoethyl)-thiophene-2-carboxylate
|
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
17.161545
|
H Acceptors
|
4
|
H Donor
|
1
|
LogD (pH = 5.5)
|
0.8664127
|
LogD (pH = 7.4)
|
0.8664127
|
Log P
|
0.8664127
|
Molar Refractivity
|
60.6318 cm3
|
Polarizability
|
22.87318 Å3
|
Polar Surface Area
|
102.41 Å2
|
Rotatable Bonds
|
5
|
Lipinski's Rule of Five
|
true
|
PATENTS
PATENTS
PubChem Patent
Google Patent