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Disarib

CAT: 0926-YED14915-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-YED14915-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1998149-15-7
Smiles
C1=CC=C2C (=C1) C (=CC3=C (N=C4N3N=C (S4) CC5=CC=C (C=C5) Cl) C6=CC=C (C=C6) Br) C (=O) N2
Molecular Formula
C26H16BrClN4OS
Molecular Weight
547.9 g/mol
Controlled
No

Chemical Information

Disarib
CAS Number1998149-15-7
PubChem CID154824611
IUPAC Name(3Z)-3-[[6-(4-bromophenyl)-2-[(4-chlorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1H-indol-2-one
Molecular FormulaC26H16BrClN4OS
Molecular Weight547.9
XLogP6.8
Topological Polar Surface Area87.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity785
SMILES
C1=CC=C2C(=C1)/C(=C/C3=C(N=C4N3N=C(S4)CC5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Br)/C(=O)N2
InChI
InChI=1S/C26H16BrClN4OS/c27-17-9-7-16(8-10-17)24-22(14-20-19-3-1-2-4-21(19)29-25(20)33)32-26(30-24)34-23(31-32)13-15-5-11-18(28)12-6-15/h1-12,14H,13H2,(H,29,33)/b20-14-
InChIKey
XGKHRPXTCRZBFB-ZHZULCJRSA-N
Chemical Structure
2D Structure
2D structure of Disarib
CAS: 1998149-15-7
CID: 154824611
Formula: C26H16BrClN4OS
MW: 547.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.9
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass545.99167
Monoisotopic Mass545.99167
Topological Polar Surface Area87.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity785
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19154152Disarib

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