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BRP-201

CAT: 0013-GTR19185230-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185230-01Size:25 mg
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Description
BRP-201
CAS Number
2227434-74-2
Field of Research
Immunology & Inflammation
Smiles
C (N1C=2C (N=C1C (C) C3=CC=C (CC (C) C) C=C3) =CC (=CC2) C=4OC (=S) NN4) C5=C (Cl) C=CC=C5
Molecular Formula
C28H27ClN4OS
Molecular Weight
503.06
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CAS Number2227434-74-2
PubChem CID145983649
IUPAC Name5-[1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
Molecular FormulaC28H27ClN4OS
Molecular Weight503.1
XLogP7.6
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity770
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C2=NC3=C(N2CC4=CC=CC=C4Cl)C=CC(=C3)C5=NNC(=S)O5
InChI
InChI=1S/C28H27ClN4OS/c1-17(2)14-19-8-10-20(11-9-19)18(3)26-30-24-15-21(27-31-32-28(35)34-27)12-13-25(24)33(26)16-22-6-4-5-7-23(22)29/h4-13,15,17-18H,14,16H2,1-3H3,(H,32,35)
InChIKey
ZADYAZTTWZYTSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CAS: 2227434-74-2
CID: 145983649
Formula: C28H27ClN4OS
MW: 503.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight503.1
XLogP37.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass502.1594104
Monoisotopic Mass502.1594104
Topological Polar Surface Area83.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity770
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