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941868-52-6 | 2-Methyl-7-phenyl[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one
CAS No: 941868-52-6 Catalog No: AG01ARBO MDL No:MFCD09743085
Product Description
Catalog Number:
AG01ARBO
Chemical Name:
2-Methyl-7-phenyl[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one
CAS Number:
941868-52-6
Molecular Formula:
C12H9N3OS
Molecular Weight:
243.2844
MDL Number:
MFCD09743085
IUPAC Name:
2-methyl-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
InChI:
InChI=1S/C12H9N3OS/c1-7-13-10-11(17-7)9(14-15-12(10)16)8-5-3-2-4-6-8/h2-6H,1H3,(H,15,16)
InChI Key:
HQXKZACFHBMHSG-UHFFFAOYSA-N
SMILES:
Cc1sc2c(n1)c(=O)[nH]nc2c1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.284g/mol
Monoisotopic Mass:
243.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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