SAK3

CAT: 0926-GAC26987-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-GAC26987-03Size:100 mg

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

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CAS Number

1256269-87-0

Smiles

CCOC (=O) C1=C (C2 (CC1=O) C (=O) N=C3N2C=CC=C3C) N4CCCCC4

Molecular Formula

C20H23N3O4

Molecular Weight

369.41 g/mol

Controlled

Chemical Information

Ethyl 8'-methyl-2',4-dioxo-2-(piperidin-1-yl)-2'H-spiro[cyclopent[2]ene-1,3'-imidazo[1,2-a]pyridine]-3-carboxylate

CAS Number	1256269-87-0
PubChem CID	71655974
IUPAC Name	ethyl 8'-methyl-2',5-dioxo-2-piperidin-1-ylspiro[cyclopentene-3,3'-imidazo[1,2-a]pyridine]-1-carboxylate
Molecular Formula	C20H23N3O4
Molecular Weight	369.4
XLogP	1.4
Topological Polar Surface Area	79.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	845

SMILES

CCOC(=O)C1=C(C2(CC1=O)C(=O)N=C3N2C=CC=C3C)N4CCCCC4

InChI

InChI=1S/C20H23N3O4/c1-3-27-18(25)15-14(24)12-20(16(15)22-9-5-4-6-10-22)19(26)21-17-13(2)8-7-11-23(17)20/h7-8,11H,3-6,9-10,12H2,1-2H3

InChIKey

WZHBYTVHUFURPY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1256269-87-0

CID: 71655974

Formula: C20H23N3O4

MW: 369.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	369.4
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	369.16885622
Monoisotopic Mass	369.16885622
Topological Polar Surface Area	79.3 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	845
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

Catalog	Name
MBS5775904	SAK3