JNJ7777120 10mg

CAT: 0628-A12713-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A12713-10Size:10 mg

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

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CAS Number

459168-41-3

Chemical Information

Jnj-7777120

an H4 receptor antagonist; structure in first source

CAS Number	459168-41-3
PubChem CID	4908365
IUPAC Name	(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
Molecular Formula	C14H16ClN3O
Molecular Weight	277.75
XLogP	2.3
Topological Polar Surface Area	39.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	344

SMILES

CN1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3

InChIKey

HUQJRYMLJBBEDO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 459168-41-3

CID: 4908365

Formula: C14H16ClN3O

MW: 277.75

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.75
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	277.0981898
Monoisotopic Mass	277.0981898
Topological Polar Surface Area	39.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	344
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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