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UDM-001651 5mg

CAT: 0628-A18843-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A18843-5Size:5 mg
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CAS Number
1477497-01-0

Chemical Information

6-(4-((3-(Benzyloxy)benzyl)oxy)-6-methoxybenzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CAS Number1477497-01-0
PubChem CID71770951
IUPAC Name2-methoxy-6-[6-methoxy-4-[(3-phenylmethoxyphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
Molecular FormulaC28H23N3O5S
Molecular Weight513.6
XLogP6.2
Topological Polar Surface Area108
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity730
SMILES
COC1=CC2=C(C=C(O2)C3=CN4C(=N3)SC(=N4)OC)C(=C1)OCC5=CC(=CC=C5)OCC6=CC=CC=C6
InChI
InChI=1S/C28H23N3O5S/c1-32-21-12-24(35-17-19-9-6-10-20(11-19)34-16-18-7-4-3-5-8-18)22-14-26(36-25(22)13-21)23-15-31-27(29-23)37-28(30-31)33-2/h3-15H,16-17H2,1-2H3
InChIKey
LFOIDLOIBZFWDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(4-((3-(Benzyloxy)benzyl)oxy)-6-methoxybenzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CAS: 1477497-01-0
CID: 71770951
Formula: C28H23N3O5S
MW: 513.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight513.6
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass513.13584202
Monoisotopic Mass513.13584202
Topological Polar Surface Area108 Ų
Heavy Atom Count37
Formal Charge0
Complexity730
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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