CID 33632590
PubChem CID
33632590
Structure
Molecular Formula
Status
Non-live
Molecular Weight
414.4 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
N-(2-methoxy-4-nitrophenyl)-3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
InChI=1S/C19H18N4O5S/c1-12-3-5-13(6-4-12)18-21-22-19(28-18)29-10-9-17(24)20-15-8-7-14(23(25)26)11-16(15)27-2/h3-8,11H,9-10H2,1-2H3,(H,20,24)
AGICSSLSQTYOBO-UHFFFAOYSA-N
CC1=CC=C(C=C1)C2=NN=C(O2)SCCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC
C19H18N4O5S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
414.4 g/mol
Property Name
XLogP3-AA
Property Value
3.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
414.09979086 g/mol
Property Name
Monoisotopic Mass
Property Value
414.09979086 g/mol
Property Name
Topological Polar Surface Area
Property Value
148 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
555
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
Old substance
CONTENTS