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CAT: 0926-WZB77052-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-WZB77052-02Size:10 mg
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CAS Number
1246770-52-4
Smiles
C1=CC=C (C=C1) C2=NN=C (O2) C3=CC=C (C=C3) C (=O) NC (CN4C=CN=C4) C5=C (C=C (C=C5) Cl) Cl
Molecular Formula
C26H19Cl2N5O2
Molecular Weight
504.4 g/mol
Controlled
No

Chemical Information

N-((1R)-1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CAS Number1246770-52-4
PubChem CID49867823
IUPAC NameN-[(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
Molecular FormulaC26H19Cl2N5O2
Molecular Weight504.4
XLogP4.9
Topological Polar Surface Area85.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity689
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)N[C@@H](CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C26H19Cl2N5O2/c27-20-10-11-21(22(28)14-20)23(15-33-13-12-29-16-33)30-24(34)17-6-8-19(9-7-17)26-32-31-25(35-26)18-4-2-1-3-5-18/h1-14,16,23H,15H2,(H,30,34)/t23-/m0/s1
InChIKey
CJPLMXOWZZCYHJ-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of N-((1R)-1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CAS: 1246770-52-4
CID: 49867823
Formula: C26H19Cl2N5O2
MW: 504.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight504.4
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass503.0915803
Monoisotopic Mass503.0915803
Topological Polar Surface Area85.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity689
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes