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183858-22-2 | 1H-Thiazolo[3,4-a]quinoxalin-4(5H)-one, 3-phenyl-1-(phenylimino)-
CAS No: 183858-22-2 Catalog No: AG007SQ1 MDL No:
Product Description
Catalog Number:
AG007SQ1
Chemical Name:
1H-Thiazolo[3,4-a]quinoxalin-4(5H)-one, 3-phenyl-1-(phenylimino)-
CAS Number:
183858-22-2
Molecular Formula:
C22H15N3OS
Molecular Weight:
369.4390
IUPAC Name:
3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one
InChI:
InChI=1S/C22H15N3OS/c26-21-19-20(15-9-3-1-4-10-15)27-22(23-16-11-5-2-6-12-16)25(19)18-14-8-7-13-17(18)24-21/h1-14H,(H,24,26)
InChI Key:
UKFLJUCQZULSDI-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2n2c1c(sc2=Nc1ccccc1)c1ccccc1
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.094g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.442g/mol
Monoisotopic Mass:
369.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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