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86605-03-0 | 4H-Thiazolo[2,3-c][1,2,4]triazin-4-one, 3,6-diphenyl-
CAS No: 86605-03-0 Catalog No: AG004U0R MDL No:
Product Description
Catalog Number:
AG004U0R
Chemical Name:
4H-Thiazolo[2,3-c][1,2,4]triazin-4-one, 3,6-diphenyl-
CAS Number:
86605-03-0
Molecular Formula:
C17H11N3OS
Molecular Weight:
305.3537
IUPAC Name:
3,6-diphenyl-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
InChI:
InChI=1S/C17H11N3OS/c21-16-15(13-9-5-2-6-10-13)18-19-17-20(16)14(11-22-17)12-7-3-1-4-8-12/h1-11H
InChI Key:
PUQZRMGQDPPJJD-UHFFFAOYSA-N
SMILES:
O=c1c(nnc2n1c(cs2)c1ccccc1)c1ccccc1
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.355g/mol
Monoisotopic Mass:
305.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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