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Coelenterazine 400a

CAT: 0926-C-7011-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-C-7011-01Size:1 mg
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CAS Number
70217-82-2
Synonyms
2,8-Dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3 (7H) -one; 6-Phenyl-2 ,8-bis (phenylmethyl) imidazo[1,2-a]pyrazin-3 (7H) -one; Bisdeoxycoelen terazine
MDL Number
MFCD04114093
Smiles
C1=CC=C (C=C1) CC2=C (N3C=C (N=C (C3=N2) CC4=CC=CC=C4) C5=CC=CC=C5) O
Molecular Formula
C26H21N3O
Molecular Weight
391.46 g/mol
Controlled
No

Chemical Information

2,8-dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3(7H)-one
CAS Number70217-82-2
PubChem CID135750016
IUPAC Name2,8-dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol
Molecular FormulaC26H21N3O
Molecular Weight391.5
XLogP6.2
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity524
SMILES
C1=CC=C(C=C1)CC2=C(N3C=C(N=C(C3=N2)CC4=CC=CC=C4)C5=CC=CC=C5)O
InChI
InChI=1S/C26H21N3O/c30-26-23(17-20-12-6-2-7-13-20)28-25-22(16-19-10-4-1-5-11-19)27-24(18-29(25)26)21-14-8-3-9-15-21/h1-15,18,30H,16-17H2
InChIKey
XNNYOKUWNAAJQW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,8-dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3(7H)-one
CAS: 70217-82-2
CID: 135750016
Formula: C26H21N3O
MW: 391.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.5
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass391.168462302
Monoisotopic Mass391.168462302
Topological Polar Surface Area50.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity524
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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