CID 6800299
PubChem CID
6800299
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
402.4 g/mol
Dates
- Create:2006-06-06
Chemical Structure Depiction
N-(2-methoxy-4-nitrophenyl)-2-[[2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]sulfanyl]acetamide
InChI=1S/C17H14N4O6S/c1-26-14-8-10(21(24)25)6-7-12(14)18-15(23)9-28-17-20-19-16(27-17)11-4-2-3-5-13(11)22/h2-8,19H,9H2,1H3,(H,18,23)
RZQFAAFHDQTRCC-UHFFFAOYSA-N
COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NNC(=C3C=CC=CC3=O)O2
C17H14N4O6S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
402.4 g/mol
Property Name
XLogP3-AA
Property Value
3
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
9
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
402.06340535 g/mol
Property Name
Monoisotopic Mass
Property Value
402.06340535 g/mol
Property Name
Topological Polar Surface Area
Property Value
160 A^2
Property Name
Heavy Atom Count
Property Value
28
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
785
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
1
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
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CONTENTS