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JTC-801 50mg

CAT: 0628-A11076-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A11076-50Size:50 mg
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CAS Number
244218-51-7

Chemical Information

Jtc-801
CAS Number244218-51-7
PubChem CID5311339
IUPAC NameN-(4-amino-2-methylquinolin-6-yl)-2-[(4-ethylphenoxy)methyl]benzamide;hydrochloride
Molecular FormulaC26H26ClN3O2
Molecular Weight448.0
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity577
SMILES
CCC1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N.Cl
InChI
InChI=1S/C26H25N3O2.ClH/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25;/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30);1H
InChIKey
NQLIYKXNAXKMBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jtc-801
CAS: 244218-51-7
CID: 5311339
Formula: C26H26ClN3O2
MW: 448.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass447.1713548
Monoisotopic Mass447.1713548
Topological Polar Surface Area77.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity577
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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