JR-AB2-011

CAT: 0607-BA8704-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

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CAT#:0607-BA8704-5.1Size:1 mL (10 mM in DMSO)

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

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CAS Number

2411853-34-2

Form

A solid

Molecular Formula

C17H14Cl2FN3OS

Molecular Weight

398.28

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

N-(3,4-Dichlorophenyl)-2-((4-fluorophenyl)imino)-5-methylthiazolidine-3-carboxamide

CAS Number	2411853-34-2
PubChem CID	138319699
IUPAC Name	N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidine-3-carboxamide
Molecular Formula	C17H14Cl2FN3OS
Molecular Weight	398.3
XLogP	5.2
Topological Polar Surface Area	70
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	25
Formal Charge	0
Complexity	516

SMILES

CC1CN(C(=NC2=CC=C(C=C2)F)S1)C(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H14Cl2FN3OS/c1-10-9-23(16(24)21-13-6-7-14(18)15(19)8-13)17(25-10)22-12-4-2-11(20)3-5-12/h2-8,10H,9H2,1H3,(H,21,24)

InChIKey

SHKNIJKASRGSEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2411853-34-2

CID: 138319699

Formula: C17H14Cl2FN3OS

MW: 398.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	398.3
XLogP3	5.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	397.0218668
Monoisotopic Mass	397.0218668
Topological Polar Surface Area	70 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	516
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