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880485-92-7 | Pyrazinecarboxamide, N-(4-oxo-2-phenyl-3-thiazolidinyl)-
CAS No: 880485-92-7 Catalog No: AG004M1P MDL No:
Product Description
Catalog Number:
AG004M1P
Chemical Name:
Pyrazinecarboxamide, N-(4-oxo-2-phenyl-3-thiazolidinyl)-
CAS Number:
880485-92-7
Molecular Formula:
C14H12N4O2S
Molecular Weight:
300.3357
IUPAC Name:
N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)pyrazine-2-carboxamide
InChI:
InChI=1S/C14H12N4O2S/c19-12-9-21-14(10-4-2-1-3-5-10)18(12)17-13(20)11-8-15-6-7-16-11/h1-8,14H,9H2,(H,17,20)
InChI Key:
AXQXPYVAAITUJE-UHFFFAOYSA-N
SMILES:
O=C1CSC(N1NC(=O)c1cnccn1)c1ccccc1
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.336g/mol
Monoisotopic Mass:
300.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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