VP3.15 dihydrobromide 5mg

CAT: 0628-A21789-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A21789-5Size:5 mg

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CAS Number

1281681-33-1

Chemical Information

VP3.15 dihydrobromide

CAS Number	1281681-33-1
PubChem CID	57326492
IUPAC Name	N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine;dihydrobromide
Molecular Formula	C20H24Br2N4OS
Molecular Weight	528.3
Topological Polar Surface Area	65.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	506

SMILES

C1COCCN1CCN=C2N=C(N(S2)C3=CC=CC=C3)C4=CC=CC=C4.Br.Br

InChI

InChI=1S/C20H22N4OS.2BrH/c1-3-7-17(8-4-1)19-22-20(21-11-12-23-13-15-25-16-14-23)26-24(19)18-9-5-2-6-10-18;;/h1-10H,11-16H2;2*1H

InChIKey

CAJZOXQDSKOPBU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1281681-33-1

CID: 57326492

Formula: C20H24Br2N4OS

MW: 528.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	528.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	528.00171
Monoisotopic Mass	526.00376
Topological Polar Surface Area	65.7 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	506
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	3
Compound Is Canonicalized	Yes

Catalog	Name
A21789-500	VP3.15 dihydrobromide 500mg
A21789-2	VP3.15 dihydrobromide 2mg
A21789-100	VP3.15 dihydrobromide 100mg
A21789-50	VP3.15 dihydrobromide 50mg
A21789-10	VP3.15 dihydrobromide 10mg
A21789-25	VP3.15 dihydrobromide 25mg
A18538-5	VP3.15 5mg
A21789-10mM-D	VP3.15 dihydrobromide 10mM * 1mL in DMSO
A22263-5	Clobenpropit dihydrobromide 5mg
A14010-5	IEM 1754 Dihydrobromide 5mg

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