HI TOPK 032 10mg

CAT: 0628-A16042-10Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0628-A16042-10Size:10 mg

Selected

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

Quick Request Actions

CAS Number

487020-03-1

Chemical Information

HI-Topk-032

CAS Number	487020-03-1
PubChem CID	1936439
IUPAC Name	N-(12-cyanoindolizino[2,3-b]quinoxalin-2-yl)thiophene-2-carboxamide
Molecular Formula	C20H11N5OS
Molecular Weight	369.4
XLogP	4.1
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	27
Formal Charge	0
Complexity	635

SMILES

C1=CC=C2C(=C1)N=C3C(=C4C=C(C=CN4C3=N2)NC(=O)C5=CC=CS5)C#N

InChI

InChI=1S/C20H11N5OS/c21-11-13-16-10-12(22-20(26)17-6-3-9-27-17)7-8-25(16)19-18(13)23-14-4-1-2-5-15(14)24-19/h1-10H,(H,22,26)

InChIKey

BCSBXWKRZUPFHW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 487020-03-1

CID: 1936439

Formula: C20H11N5OS

MW: 369.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	369.4
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	369.06843116
Monoisotopic Mass	369.06843116
Topological Polar Surface Area	111 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	635
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