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124962-26-1

124962-26-1 | Phenol, 3-(5H-thiazolo[2,3-b]quinazolin-3-yl)-

CAS No: 124962-26-1 Catalog No: AG000MY2 MDL No:

Product Description

Catalog Number:
AG000MY2
Chemical Name:
Phenol, 3-(5H-thiazolo[2,3-b]quinazolin-3-yl)-
CAS Number:
124962-26-1
Molecular Formula:
C16H12N2OS
Molecular Weight:
280.3443
IUPAC Name:
3-(5H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)phenol
InChI:
InChI=1S/C16H12N2OS/c19-13-6-3-5-11(8-13)15-10-20-16-17-14-7-2-1-4-12(14)9-18(15)16/h1-8,10,19H,9H2
InChI Key:
FMVGAMNBEWTNFD-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1csc2=Nc3c(Cn12)cccc3

Properties

Complexity:
448  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.067g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
280.345g/mol
Monoisotopic Mass:
280.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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