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GSK2982772 5mg

CAT: 0628-A19380-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19380-5Size:5 mg
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CAS Number
1622848-92-3

Chemical Information

Gsk2982772

RIPK1 inhibitor

CAS Number1622848-92-3
PubChem CID77108121
IUPAC Name5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
Molecular FormulaC20H19N5O3
Molecular Weight377.4
XLogP2.4
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity568
SMILES
CN1C2=CC=CC=C2OC[C@@H](C1=O)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4
InChI
InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1
InChIKey
LYPAFUINURXJSG-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Gsk2982772
CAS: 1622848-92-3
CID: 77108121
Formula: C20H19N5O3
MW: 377.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass377.14878949
Monoisotopic Mass377.14878949
Topological Polar Surface Area100 Ų
Heavy Atom Count28
Formal Charge0
Complexity568
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes