LM-1484 100mg

CAT: 0628-A19872-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A19872-100Size:100 mg

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CAS Number

197506-02-8

Chemical Information

6Pml6KB249

CAS Number	197506-02-8
PubChem CID	10027442
IUPAC Name	8-[(E)-2-[4-(4-phenylbutoxy)phenyl]ethenyl]-2-(2H-tetrazol-5-yl)chromen-4-one
Molecular Formula	C28H24N4O3
Molecular Weight	464.5
XLogP	5.7
Topological Polar Surface Area	90
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	35
Formal Charge	0
Complexity	742

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

CAS: 197506-02-8

CID: 10027442

Formula: C28H24N4O3

MW: 464.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	464.5
XLogP3	5.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	464.18484064
Monoisotopic Mass	464.18484064
Topological Polar Surface Area	90 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	742
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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LM-1484 100mg

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