JZP-430 50mg

CAT: 0628-A20413-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A20413-50Size:50 mg

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CAS Number

1672691-74-5

Chemical Information

4-Morpholino-1,2,5-thiadiazol-3-yl cyclooctyl(methyl)carbamate

an alpha/beta-hydrolase domain 6 (ABHD6) inhibitor; structure in first source

CAS Number	1672691-74-5
PubChem CID	121513897
IUPAC Name	(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) N-cyclooctyl-N-methylcarbamate
Molecular Formula	C16H26N4O3S
Molecular Weight	354.5
XLogP	3.4
Topological Polar Surface Area	96
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	401

SMILES

CN(C1CCCCCCC1)C(=O)OC2=NSN=C2N3CCOCC3

InChI

InChI=1S/C16H26N4O3S/c1-19(13-7-5-3-2-4-6-8-13)16(21)23-15-14(17-24-18-15)20-9-11-22-12-10-20/h13H,2-12H2,1H3

InChIKey

WKSHMJCYWFOADB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1672691-74-5

CID: 121513897

Formula: C16H26N4O3S

MW: 354.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	354.5
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	354.17256188
Monoisotopic Mass	354.17256188
Topological Polar Surface Area	96 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	401
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