DAU-5884

CAT: 0926-GFA78047Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-GFA78047Size:25 mg

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

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CAS Number

131780-47-7

MDL Number

MFCD27986864

Smiles

CN1[C@@H]2CC[C@H]1CC (C2) OC (=O) N3CC4=CC=CC=C4NC3=O.Cl

Molecular Formula

C17H21N3O3

Molecular Weight

315.37 g/mol

Controlled

Chemical Information

DAU 5884 hydrochloride

CAS Number	131780-47-7
PubChem CID	16759154
IUPAC Name	[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-1,4-dihydroquinazoline-3-carboxylate;hydrochloride
Molecular Formula	C17H22ClN3O3
Molecular Weight	351.8
Topological Polar Surface Area	61.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	483

SMILES

CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)N3CC4=CC=CC=C4NC3=O.Cl

InChI

InChI=1S/C17H21N3O3.ClH/c1-19-12-6-7-13(19)9-14(8-12)23-17(22)20-10-11-4-2-3-5-15(11)18-16(20)21;/h2-5,12-14H,6-10H2,1H3,(H,18,21);1H/t12-,13+,14?;

InChIKey

FDERDDSQHZRNGC-LIWIJTDLSA-N

Chemical Structure

2D Structure

CAS: 131780-47-7

CID: 16759154

Formula: C17H22ClN3O3

MW: 351.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	351.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	351.1349693
Monoisotopic Mass	351.1349693
Topological Polar Surface Area	61.9 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	483
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
GCB15927-01	CBR-5884
FH73240-01	RU 58841