SDZ285428

CAT: 0127-BUP09992-06Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09992-06Size:200 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

174262-13-6

Synonyms

SDZ285-428

Purity

=95%

Smiles

Clc1ccc(cc1)-c1ccc(cc1)C(=O)NCC(c1ccccc1)n1ccnc1

Chemical Information

4'-Chloro-biphenyl-4-carboxylic acid (2-imidazol-1-yl-2-phenyl-ethyl)-amide

CAS Number	174262-13-6
PubChem CID	9952928
IUPAC Name	4-(4-chlorophenyl)-N-(2-imidazol-1-yl-2-phenylethyl)benzamide
Molecular Formula	C24H20ClN3O
Molecular Weight	401.9
XLogP	4.9
Topological Polar Surface Area	46.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	29
Formal Charge	0
Complexity	508

SMILES

C1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)N4C=CN=C4

InChI

InChI=1S/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-16-23(28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29)

InChIKey

FHHNSSGZEIVGMS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 174262-13-6

CID: 9952928

Formula: C24H20ClN3O

MW: 401.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	401.9
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	401.1294900
Monoisotopic Mass	401.1294900
Topological Polar Surface Area	46.9 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	508
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes