NSP-805 200mg

CAT: 0628-A20716-200Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0628-A20716-200Size:200 mg

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CAS Number

125068-54-4

Chemical Information

Nsp 805

may have beneficial effects for treatment of congestive heart failure; structure given in first source

CAS Number	125068-54-4
PubChem CID	130349
IUPAC Name	4-methyl-3-[4-[(2-methyl-3-oxocyclopenten-1-yl)amino]phenyl]-4,5-dihydro-1H-pyridazin-6-one
Molecular Formula	C17H19N3O2
Molecular Weight	297.35
XLogP	1.7
Topological Polar Surface Area	70.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	542

SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)NC3=C(C(=O)CC3)C

InChI

InChI=1S/C17H19N3O2/c1-10-9-16(22)19-20-17(10)12-3-5-13(6-4-12)18-14-7-8-15(21)11(14)2/h3-6,10,18H,7-9H2,1-2H3,(H,19,22)

InChIKey

DSRIICXPBQXOKK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 125068-54-4

CID: 130349

Formula: C17H19N3O2

MW: 297.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.35
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	297.147726857
Monoisotopic Mass	297.147726857
Topological Polar Surface Area	70.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	542
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes