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88469-75-4 | Thiazolo[4,5-d]pyridazin-7(6H)-one, 2,6-diphenyl-
CAS No: 88469-75-4 Catalog No: AG004C58 MDL No:
Product Description
Catalog Number:
AG004C58
Chemical Name:
Thiazolo[4,5-d]pyridazin-7(6H)-one, 2,6-diphenyl-
CAS Number:
88469-75-4
Molecular Formula:
C17H11N3OS
Molecular Weight:
305.3537
IUPAC Name:
2,6-diphenyl-[1,3]thiazolo[4,5-d]pyridazin-7-one
InChI:
InChI=1S/C17H11N3OS/c21-17-15-14(11-18-20(17)13-9-5-2-6-10-13)19-16(22-15)12-7-3-1-4-8-12/h1-11H
InChI Key:
ZQYRSOQQDOAQRY-UHFFFAOYSA-N
SMILES:
O=c1n(ncc2c1sc(n2)c1ccccc1)c1ccccc1
Properties
Complexity:
443
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:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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