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AZD1208

CAT: 0127-BUP13026-06Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13026-06Size:200 mg
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CAS Number
1204144-28-4
Purity
=95%
Smiles
NC1CCCN(C1)c1c(\C=C2/SC(=O)NC2=O)cccc1-c1ccccc1

Chemical Information

Azd-1208
CAS Number1204144-28-4
PubChem CID58423153
IUPAC Name(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-phenylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
Molecular FormulaC21H21N3O2S
Molecular Weight379.5
XLogP3.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity602
SMILES
C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N
InChI
InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/b18-12-/t16-/m1/s1
InChIKey
MCUJKPPARUPFJM-UWCCDQBKSA-N
Chemical Structure
2D Structure
2D structure of Azd-1208
CAS: 1204144-28-4
CID: 58423153
Formula: C21H21N3O2S
MW: 379.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass379.13544809
Monoisotopic Mass379.13544809
Topological Polar Surface Area101 Ų
Heavy Atom Count27
Formal Charge0
Complexity602
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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