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122945-78-2 | 5H-Thiazolo[3,2-a]thieno[2,3-d]pyrimidin-5-one, 3-(4-bromophenyl)-7-phenyl-
CAS No: 122945-78-2 Catalog No: AG000JTB MDL No:
Product Description
Catalog Number:
AG000JTB
Chemical Name:
5H-Thiazolo[3,2-a]thieno[2,3-d]pyrimidin-5-one, 3-(4-bromophenyl)-7-phenyl-
CAS Number:
122945-78-2
Molecular Formula:
C20H11BrN2OS2
Molecular Weight:
439.3481
IUPAC Name:
12-(4-bromophenyl)-5-phenyl-6,10-dithia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
InChI:
InChI=1S/C20H11BrN2OS2/c21-14-8-6-12(7-9-14)16-11-25-20-22-18-15(19(24)23(16)20)10-17(26-18)13-4-2-1-3-5-13/h1-11H
InChI Key:
XYFHGDKUADOTQF-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1csc2n1c(=O)c1c(n2)sc(c1)c1ccccc1
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.95g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.345g/mol
Monoisotopic Mass:
437.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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