LuAE51090

CAT: 0127-BUP22425-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP22425-02Size:5 mg

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

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CAS Number

1186229-95-7

Synonyms

Lu-AE51090, LuAE5 1090

Purity

≥98%

Smiles

O=C (NC1CCN (CCCN2C (=O) COC=3C=CC=CC32) CC1) CC=4C=CC=CC4

Chemical Information

Lu AE51090

CAS Number	1186229-95-7
PubChem CID	44207909
IUPAC Name	N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide
Molecular Formula	C24H29N3O3
Molecular Weight	407.5
XLogP	2.9
Topological Polar Surface Area	61.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	30
Formal Charge	0
Complexity	570

SMILES

C1CN(CCC1NC(=O)CC2=CC=CC=C2)CCCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)

InChIKey

FLGSUSWMWSZVMP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1186229-95-7

CID: 44207909

Formula: C24H29N3O3

MW: 407.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	407.5
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	407.22089180
Monoisotopic Mass	407.22089180
Topological Polar Surface Area	61.9 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	570
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
MBS5782478	LuAE51090