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THAL-SNS-032 50mg

CAT: 0628-A19088-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A19088-50Size:50 mg
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CAS Number
2139287-33-3

Chemical Information

Thal-sns-032
CAS Number2139287-33-3
PubChem CID131801483
IUPAC NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide
Molecular FormulaC40H52N8O10S2
Molecular Weight869.0
XLogP2.8
Topological Polar Surface Area277
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count22
Heavy Atom Count60
Formal Charge0
Complexity1500
SMILES
CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCN(CC3)CC(=O)NCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O
InChI
InChI=1S/C40H52N8O10S2/c1-40(2,3)29-21-43-32(58-29)24-59-33-22-44-39(60-33)46-35(51)25-9-13-47(14-10-25)23-31(50)42-12-16-56-18-20-57-19-17-55-15-11-41-27-6-4-5-26-34(27)38(54)48(37(26)53)28-7-8-30(49)45-36(28)52/h4-6,21-22,25,28,41H,7-20,23-24H2,1-3H3,(H,42,50)(H,44,46,51)(H,45,49,52)
InChIKey
BXDZOYLPNAIDOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thal-sns-032
CAS: 2139287-33-3
CID: 131801483
Formula: C40H52N8O10S2
MW: 869.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight869.0
XLogP32.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count22
Exact Mass868.32478223
Monoisotopic Mass868.32478223
Topological Polar Surface Area277 Ų
Heavy Atom Count60
Formal Charge0
Complexity1500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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T17069-01THAL-SNS-032
6532/5THAL SNS 032
FS16408-01SNS 032
HY-10008-01SNS-032

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