CLP290

CAT: 0127-BUP10274-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10274-03Size:25 mg

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

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CAS Number

1181083-81-7

Synonyms

CLP-290

Purity

=98%

Smiles

Fc1ccc(\C=C2/SC(=NC2=O)N2CCCCN2)c(OC(=O)N2CCCC2)c1

Chemical Information

(Z)-5-Fluoro-2-((4-oxo-2-(tetrahydropyridazin-1(2H)-yl)thiazol-5(4H)-ylidene)methyl)phenyl pyrrolidine-1-carboxylate

CAS Number	1181083-81-7
PubChem CID	44188755
IUPAC Name	[2-[(Z)-[2-(diazinan-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]-5-fluorophenyl] pyrrolidine-1-carboxylate
Molecular Formula	C19H21FN4O3S
Molecular Weight	404.5
XLogP	3.1
Topological Polar Surface Area	99.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	680

SMILES

C1CCN(NC1)C2=NC(=O)/C(=C/C3=C(C=C(C=C3)F)OC(=O)N4CCCC4)/S2

InChI

InChI=1S/C19H21FN4O3S/c20-14-6-5-13(15(12-14)27-19(26)23-8-3-4-9-23)11-16-17(25)22-18(28-16)24-10-2-1-7-21-24/h5-6,11-12,21H,1-4,7-10H2/b16-11-

InChIKey

DIXMMXNNKLCLOM-WJDWOHSUSA-N

Chemical Structure

2D Structure

CAS: 1181083-81-7

CID: 44188755

Formula: C19H21FN4O3S

MW: 404.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	404.5
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	404.13183988
Monoisotopic Mass	404.13183988
Topological Polar Surface Area	99.5 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	680
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP04173-01	CLP257