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LM-1484

CAT: 0013-GTR19205529-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205529-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LM-1484
CAS Number
197506-02-8
Field of Research
Pharmacology & Drug Discovery
Smiles
C (=C/C1=CC=C (OCCCCC2=CC=CC=C2) C=C1) \C3=C4C (C (=O) C=C (O4) C=5NN=NN5) =CC=C3
Molecular Formula
C28H24N4O3
Molecular Weight
464.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6Pml6KB249
CAS Number197506-02-8
PubChem CID10027442
IUPAC Name8-[(E)-2-[4-(4-phenylbutoxy)phenyl]ethenyl]-2-(2H-tetrazol-5-yl)chromen-4-one
Molecular FormulaC28H24N4O3
Molecular Weight464.5
XLogP5.7
Topological Polar Surface Area90
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity742
SMILES
C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)/C=C/C3=C4C(=CC=C3)C(=O)C=C(O4)C5=NNN=N5
InChI
InChI=1S/C28H24N4O3/c33-25-19-26(28-29-31-32-30-28)35-27-22(10-6-11-24(25)27)15-12-21-13-16-23(17-14-21)34-18-5-4-9-20-7-2-1-3-8-20/h1-3,6-8,10-17,19H,4-5,9,18H2,(H,29,30,31,32)/b15-12+
InChIKey
KBTDCXSSQDGWLL-NTCAYCPXSA-N
Chemical Structure
2D Structure
2D structure of 6Pml6KB249
CAS: 197506-02-8
CID: 10027442
Formula: C28H24N4O3
MW: 464.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.5
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass464.18484064
Monoisotopic Mass464.18484064
Topological Polar Surface Area90 Ų
Heavy Atom Count35
Formal Charge0
Complexity742
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

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