CID 39079671
PubChem CID
39079671
Structure
Molecular Formula
Status
Non-live
Molecular Weight
335.4 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[5-amino-4-methoxycarbonyl-3-(2-methoxy-5-methylphenyl)thiophen-2-yl]methyl-dimethylazanium
InChI=1S/C17H22N2O3S/c1-10-6-7-12(21-4)11(8-10)14-13(9-19(2)3)23-16(18)15(14)17(20)22-5/h6-8H,9,18H2,1-5H3/p+1
ODMXNROKMIVLFY-UHFFFAOYSA-O
CC1=CC(=C(C=C1)OC)C2=C(SC(=C2C(=O)OC)N)C[NH+](C)C
C17H23N2O3S+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
335.4 g/mol
Property Name
XLogP3-AA
Property Value
3.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
335.14293877 g/mol
Property Name
Monoisotopic Mass
Property Value
335.14293877 g/mol
Property Name
Topological Polar Surface Area
Property Value
94.2 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
407
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS