NRA-0160 25mg

CAT: 0628-A20128-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A20128-25Size:25 mg

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CAS Number

204718-47-8

Chemical Information

4-(4-Fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide

CAS Number	204718-47-8
PubChem CID	10433314
IUPAC Name	4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide
Molecular Formula	C24H23F2N3OS
Molecular Weight	439.5
XLogP	4.6
Topological Polar Surface Area	87.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	31
Formal Charge	0
Complexity	630

SMILES

C1CN(CCC1=CC2=CC(=CC=C2)F)CCC3=C(N=C(S3)C(=O)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H23F2N3OS/c25-19-6-4-18(5-7-19)22-21(31-24(28-22)23(27)30)10-13-29-11-8-16(9-12-29)14-17-2-1-3-20(26)15-17/h1-7,14-15H,8-13H2,(H2,27,30)

InChIKey

QESXTNJNPLVEOR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 204718-47-8

CID: 10433314

Formula: C24H23F2N3OS

MW: 439.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	439.5
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	439.15298986
Monoisotopic Mass	439.15298986
Topological Polar Surface Area	87.5 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	630
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
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HY-100550-01	MSDC 0160
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HY-100550R	MSDC 0160 (Standard)
321988	FG/3100-0160 Card Printer Accessories
E11-124005	KSP-Cadherin (Clone 0160) Mouse mAb
MBS9014508	Rabbit anti-Caenorhabditis elegans nra-1 Polyclonal Antibody
321989	FG/3652-0160-2 Card Printer Accessories
MBS1382213	Recombinant Caenorhabditis elegans Nicotinic receptor-associated protein 1 (nra-1), partial