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CAT: 0926-QTC93443-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-QTC93443-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1715934-43-2
Smiles
CC1=C (N2C (=N1) C (=CC (=N2) Cl) NCCNC (=O) C) C3=CC (=CC=C3) S (=O) (=O) N (C) C
Molecular Formula
C19H23ClN6O3S
Molecular Weight
450.9 g/mol
Controlled
No

Chemical Information

N-(2-((6-chloro-3-(3-(N,N-dimethylsulfamoyl)phenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl)amino)ethyl)acetamide
CAS Number1715934-43-2
PubChem CID91758319
IUPAC NameN-[2-[[6-chloro-3-[3-(dimethylsulfamoyl)phenyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide
Molecular FormulaC19H23ClN6O3S
Molecular Weight450.9
XLogP1.8
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity703
SMILES
CC1=C(N2C(=N1)C(=CC(=N2)Cl)NCCNC(=O)C)C3=CC(=CC=C3)S(=O)(=O)N(C)C
InChI
InChI=1S/C19H23ClN6O3S/c1-12-18(14-6-5-7-15(10-14)30(28,29)25(3)4)26-19(23-12)16(11-17(20)24-26)22-9-8-21-13(2)27/h5-7,10-11,22H,8-9H2,1-4H3,(H,21,27)
InChIKey
PSTAJIONBVMKLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-((6-chloro-3-(3-(N,N-dimethylsulfamoyl)phenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl)amino)ethyl)acetamide
CAS: 1715934-43-2
CID: 91758319
Formula: C19H23ClN6O3S
MW: 450.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.9
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass450.1240875
Monoisotopic Mass450.1240875
Topological Polar Surface Area117 Ų
Heavy Atom Count30
Formal Charge0
Complexity703
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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