L-694,247

CAT: 0024-sc-361223Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-361223Size:10 mg

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CAS Number

137403-12-4

Chemical Information

2-(5-(3-(4-(Methylsulfonylamino)benzyl)-1,2,4-oxadiazol-5-yl)-1H-indole-3-yl)ethylamine

N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide is a member of tryptamines.

CAS Number	137403-12-4
PubChem CID	132059
IUPAC Name	N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
Molecular Formula	C20H21N5O3S
Molecular Weight	411.5
XLogP	2.2
Topological Polar Surface Area	135
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	29
Formal Charge	0
Complexity	635

SMILES

CS(=O)(=O)NC1=CC=C(C=C1)CC2=NOC(=N2)C3=CC4=C(C=C3)NC=C4CCN

InChI

InChI=1S/C20H21N5O3S/c1-29(26,27)25-16-5-2-13(3-6-16)10-19-23-20(28-24-19)14-4-7-18-17(11-14)15(8-9-21)12-22-18/h2-7,11-12,22,25H,8-10,21H2,1H3

InChIKey

HKXMQLISPYELRD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 137403-12-4

CID: 132059

Formula: C20H21N5O3S

MW: 411.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	411.5
XLogP3	2.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	411.13651072
Monoisotopic Mass	411.13651072
Topological Polar Surface Area	135 Å²
Heavy Atom Count	29
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

Catalog	Name
sc-499541	1-Defluoropentyl AM-694
sc-499534	Defluoro hydroxy AM-694
sc-499537	Defluoro tosyloxy AM-694
sc-71093	Factor XII light chain (1.B.694)
sc-477901	L-Phenylalanyl-L-seryl-L-leucyl-L-leucyl-L-arginyl-L-tyrosinamide
sc-475690	L-Valyl-L-histidyl-L-leucyl-L-threonyl-L-prolyl-L-glutamic Acid
sc-211714	L-γ-Glutamyl-L-cysteinyl-L-lysine
sc-286055A	L-Alanyl-L-tryptophan
sc-300885C	L-Leucyl-L-alanine
sc-490799	L-Leucyl-L-phenylalaninamide