JNJ-42226314

CAT: 0607-BA7954-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7954-10Size:10 mg

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

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CAS Number

1252765-13-1

Form

A solid

Molecular Formula

C26H24FN5O2S

Molecular Weight

489.56

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

[1-(4-Fluorophenyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

CAS Number	1252765-13-1
PubChem CID	59625954
IUPAC Name	[1-(4-fluorophenyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
Molecular Formula	C26H24FN5O2S
Molecular Weight	489.6
XLogP	3.4
Topological Polar Surface Area	89.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	35
Formal Charge	0
Complexity	782

SMILES

C1CN(CCN1C2CN(C2)C(=O)C3=CC4=C(C=C3)N(C=C4)C5=CC=C(C=C5)F)C(=O)C6=NC=CS6

InChI

InChI=1S/C26H24FN5O2S/c27-20-2-4-21(5-3-20)32-9-7-18-15-19(1-6-23(18)32)25(33)31-16-22(17-31)29-10-12-30(13-11-29)26(34)24-28-8-14-35-24/h1-9,14-15,22H,10-13,16-17H2

InChIKey

IVOACCSOISMVBL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1252765-13-1

CID: 59625954

Formula: C26H24FN5O2S

MW: 489.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	489.6
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	489.16347436
Monoisotopic Mass	489.16347436
Topological Polar Surface Area	89.9 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	782
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

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