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LP-922761

CAT: 0607-BA8403-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8403-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1454808-95-7
Form
A solid
Molecular Formula
C21H26N6O3
Molecular Weight
410.47
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

tert-Butyl(2-((3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl)amino)ethyl)(methyl)carbamate
CAS Number1454808-95-7
PubChem CID86696405
IUPAC Nametert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate
Molecular FormulaC21H26N6O3
Molecular Weight410.5
XLogP2.1
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity602
SMILES
CC(C)(C)OC(=O)N(C)CCNC1=NN2C(=NC=C2C3=CC=C(C=C3)C(=O)N)C=C1
InChI
InChI=1S/C21H26N6O3/c1-21(2,3)30-20(29)26(4)12-11-23-17-9-10-18-24-13-16(27(18)25-17)14-5-7-15(8-6-14)19(22)28/h5-10,13H,11-12H2,1-4H3,(H2,22,28)(H,23,25)
InChIKey
YNQNYIHMAZLJAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl(2-((3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl)amino)ethyl)(methyl)carbamate
CAS: 1454808-95-7
CID: 86696405
Formula: C21H26N6O3
MW: 410.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.5
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass410.20663871
Monoisotopic Mass410.20663871
Topological Polar Surface Area115 Ų
Heavy Atom Count30
Formal Charge0
Complexity602
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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