Alteconazole

CAT: 0013-GTR19199525-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19199525-02Size:50 mg

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Description

Alteconazole

CAS Number

93479-96-0

Field of Research

Infectious Disease & Virology

Smiles

C ([C@]1 ([C@H] (O1) C2=C (Cl) C=C (Cl) C=C2) C3=CC=C (Cl) C=C3) N4C=NC=N4

Molecular Formula

C17H12Cl3N3O

Molecular Weight

380.66

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Alteconazole

CAS Number	93479-96-0
PubChem CID	172289
IUPAC Name	1-[[(2S,3R)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
Molecular Formula	C17H12Cl3N3O
Molecular Weight	380.7
XLogP	4.3
Topological Polar Surface Area	43.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	449

SMILES

C1=CC(=CC=C1[C@@]2([C@H](O2)C3=C(C=C(C=C3)Cl)Cl)CN4C=NC=N4)Cl

InChI

InChI=1S/C17H12Cl3N3O/c18-12-3-1-11(2-4-12)17(8-23-10-21-9-22-23)16(24-17)14-6-5-13(19)7-15(14)20/h1-7,9-10,16H,8H2/t16-,17-/m1/s1

InChIKey

HUSJLAKLJPOCEL-IAGOWNOFSA-N

Chemical Structure

2D Structure

CAS: 93479-96-0

CID: 172289

Formula: C17H12Cl3N3O

MW: 380.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	380.7
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	379.004595
Monoisotopic Mass	379.004595
Topological Polar Surface Area	43.2 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	449
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-122380	Alteconazole