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GW841819X 50mg

CAT: 0628-A16367-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A16367-50Size:50 mg
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CAS Number
146135-18-4

Chemical Information

GW841819X
CAS Number146135-18-4
PubChem CID13953710
IUPAC Namebenzyl N-(1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)carbamate
Molecular FormulaC25H21N5O2
Molecular Weight423.5
XLogP3.9
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity673
SMILES
CC1=NN=C2N1C3=CC=CC=C3C(=NC2NC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)
InChIKey
TUWDLUFFAHHNEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GW841819X
CAS: 146135-18-4
CID: 13953710
Formula: C25H21N5O2
MW: 423.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight423.5
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass423.16952493
Monoisotopic Mass423.16952493
Topological Polar Surface Area81.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity673
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes