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GNE-131

CAT: 0607-BA6999-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6999-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1629063-81-5
Form
A solid
Molecular Formula
C23H30N4O3S
Molecular Weight
442.57
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide
CAS Number1629063-81-5
PubChem CID91666633
IUPAC NameN-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide
Molecular FormulaC23H30N4O3S
Molecular Weight442.6
XLogP4.8
Topological Polar Surface Area94
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity780
SMILES
C1CC1C2=CN3C(=NN=C3NS(=O)(=O)C4CC4)C=C2OCC56CC7CC(C5)CC(C7)C6
InChI
InChI=1S/C23H30N4O3S/c28-31(29,18-3-4-18)26-22-25-24-21-8-20(19(12-27(21)22)17-1-2-17)30-13-23-9-14-5-15(10-23)7-16(6-14)11-23/h8,12,14-18H,1-7,9-11,13H2,(H,25,26)
InChIKey
FPERPEQIXLOVIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[7-(1-adamantylmethoxy)-6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropanesulfonamide
CAS: 1629063-81-5
CID: 91666633
Formula: C23H30N4O3S
MW: 442.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.6
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass442.20386201
Monoisotopic Mass442.20386201
Topological Polar Surface Area94 Ų
Heavy Atom Count31
Formal Charge0
Complexity780
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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