DRAK2-IN-1 1mg

CAT: 0628-A18433-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A18433-1Size:1 mg

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

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CAS Number

871837-60-4

Chemical Information

Drak2-IN-1

CAS Number	871837-60-4
PubChem CID	136175114
IUPAC Name	N-[2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]pentanamide
Molecular Formula	C21H20N4O3
Molecular Weight	376.4
XLogP	3.7
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	574

SMILES

CCCCC(=O)NC1=CC2=C(C=C1)NC(=C2C3=C(C4=CC=CC=C4N3)N=O)O

InChI

InChI=1S/C21H20N4O3/c1-2-3-8-17(26)22-12-9-10-16-14(11-12)18(21(27)24-16)20-19(25-28)13-6-4-5-7-15(13)23-20/h4-7,9-11,23-24,27H,2-3,8H2,1H3,(H,22,26)

InChIKey

ZFZLSKZDOULLMO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 871837-60-4

CID: 136175114

Formula: C21H20N4O3

MW: 376.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	376.4
XLogP3	3.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	376.15354051
Monoisotopic Mass	376.15354051
Topological Polar Surface Area	110 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	574
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