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GLPG2938

CAT: 0926-FKD99600-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FKD99600-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2130996-00-6
Smiles
CC1=CC (=CC=C1) C2=CC=C (C=C2) C (=O) C (F) (F) F
Molecular Formula
C20H19F6N7O2
Molecular Weight
503.40 g/mol
Controlled
No

Chemical Information

1-(2-Ethoxy-6-(trifluoromethyl)pyridin-4-yl)-3-((5-methyl-6-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)pyridazin-3-yl)methyl)urea
CAS Number2130996-00-6
PubChem CID137377911
IUPAC Name1-[2-ethoxy-6-(trifluoromethyl)-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
Molecular FormulaC20H19F6N7O2
Molecular Weight503.4
XLogP2.2
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity712
SMILES
CCOC1=CC(=CC(=N1)C(F)(F)F)NC(=O)NCC2=NN=C(C(=C2)C)C3=CN(N=C3C(F)(F)F)C
InChI
InChI=1S/C20H19F6N7O2/c1-4-35-15-7-11(6-14(29-15)19(21,22)23)28-18(34)27-8-12-5-10(2)16(31-30-12)13-9-33(3)32-17(13)20(24,25)26/h5-7,9H,4,8H2,1-3H3,(H2,27,28,29,34)
InChIKey
MGJMUVKYINFAQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Ethoxy-6-(trifluoromethyl)pyridin-4-yl)-3-((5-methyl-6-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)pyridazin-3-yl)methyl)urea
CAS: 2130996-00-6
CID: 137377911
Formula: C20H19F6N7O2
MW: 503.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass503.15044185
Monoisotopic Mass503.15044185
Topological Polar Surface Area107 Ų
Heavy Atom Count35
Formal Charge0
Complexity712
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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CatalogName
BA5463-10GLPG2938

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