E260 100mg

CAT: 0628-A17247-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A17247-100Size:100 mg

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CAS Number

1241537-79-0

Chemical Information

6-(4-Isopropylphenyl)-2-(4-((4-methylpiperazin-1-yl)methyl)piperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole

CAS Number	1241537-79-0
PubChem CID	46898309
IUPAC Name	2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-6-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Molecular Formula	C24H34N6S
Molecular Weight	438.6
XLogP	4.7
Topological Polar Surface Area	68.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	31
Formal Charge	0
Complexity	566

SMILES

CC(C)C1=CC=C(C=C1)C2=CN3C(=N2)SC(=N3)N4CCC(CC4)CN5CCN(CC5)C

InChI

InChI=1S/C24H34N6S/c1-18(2)20-4-6-21(7-5-20)22-17-30-23(25-22)31-24(26-30)29-10-8-19(9-11-29)16-28-14-12-27(3)13-15-28/h4-7,17-19H,8-16H2,1-3H3

InChIKey

RFHSWNJYHRAOMP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1241537-79-0

CID: 46898309

Formula: C24H34N6S

MW: 438.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	438.6
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	438.25656628
Monoisotopic Mass	438.25656628
Topological Polar Surface Area	68.2 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	566
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