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DL5H3

CAT: 0013-GTR19244126-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19244126-02Size:1 g
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Description
DL5H3 (DL5 H3) is a biochemical.
CAS Number
90263-34-6
Purity
>98% (HPLC)
Smiles
C (=C1C=2N (C (=O) C=3C (N2) =CC (NC (CCN4CCCCC4) =O) =CC3) CC1) C5=CC=CC=C5
Molecular Formula
C26H28N4O2
Molecular Weight
428.53
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

N-(3-benzylidene-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-yl)-3-(piperidin-1-yl)propanamide
CAS Number90263-34-6
PubChem CID13282351
IUPAC NameN-[(3E)-3-benzylidene-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-3-piperidin-1-ylpropanamide
Molecular FormulaC26H28N4O2
Molecular Weight428.5
XLogP3
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity764
SMILES
C1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N4CC/C(=C\C5=CC=CC=C5)/C4=N3
InChI
InChI=1S/C26H28N4O2/c31-24(12-15-29-13-5-2-6-14-29)27-21-9-10-22-23(18-21)28-25-20(11-16-30(25)26(22)32)17-19-7-3-1-4-8-19/h1,3-4,7-10,17-18H,2,5-6,11-16H2,(H,27,31)/b20-17+
InChIKey
IKZNFIXEWJBYCF-LVZFUZTISA-N
Chemical Structure
2D Structure
2D structure of N-(3-benzylidene-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-yl)-3-(piperidin-1-yl)propanamide
CAS: 90263-34-6
CID: 13282351
Formula: C26H28N4O2
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass428.22122615
Monoisotopic Mass428.22122615
Topological Polar Surface Area65 Ų
Heavy Atom Count32
Formal Charge0
Complexity764
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
T31543-01DL5H3

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