Homocarbonyltopsentin 1mg

CAT: 0628-A18702-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A18702-1Size:1 mg

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

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CAS Number

172286-77-0

Chemical Information

Homocarbonyltopsentin

Homocarbonyltopsentin is an organic molecular entity.

CAS Number	172286-77-0
PubChem CID	11326167
IUPAC Name	[2-(6-hydroxy-1H-indole-3-carbonyl)-1H-imidazol-5-yl]-(1H-indol-3-yl)methanone
Molecular Formula	C21H14N4O3
Molecular Weight	370.4
XLogP	3.3
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	629

SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)C3=CN=C(N3)C(=O)C4=CNC5=C4C=CC(=C5)O

InChI

InChI=1S/C21H14N4O3/c26-11-5-6-13-15(9-23-17(13)7-11)20(28)21-24-10-18(25-21)19(27)14-8-22-16-4-2-1-3-12(14)16/h1-10,22-23,26H,(H,24,25)

InChIKey

DRCVQVIMGSWRLN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 172286-77-0

CID: 11326167

Formula: C21H14N4O3

MW: 370.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	370.4
XLogP3	3.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	370.10659032
Monoisotopic Mass	370.10659032
Topological Polar Surface Area	115 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	629
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
XGA28677	Homocarbonyltopsentin