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QC-01?€?175 100mg

CAT: 0628-A23961-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A23961-100Size:100 mg
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CAS Number
2267290-96-8

Chemical Information

N-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethoxy)ethyl)-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide
CAS Number2267290-96-8
PubChem CID139593563
IUPAC NameN-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide
Molecular FormulaC33H34N6O7
Molecular Weight626.7
XLogP2
Topological Polar Surface Area172
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count46
Formal Charge0
Complexity1140
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCNC(=O)CCC4=CC5=C(C=C4)C6=C(N5)C=CN=C6
InChI
InChI=1S/C33H34N6O7/c40-28(8-5-20-4-6-21-23-19-34-11-10-24(23)37-26(21)18-20)36-13-15-46-17-16-45-14-12-35-25-3-1-2-22-30(25)33(44)39(32(22)43)27-7-9-29(41)38-31(27)42/h1-4,6,10-11,18-19,27,35,37H,5,7-9,12-17H2,(H,36,40)(H,38,41,42)
InChIKey
NWTCZTAQSRLSCP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethoxy)ethyl)-3-(5H-pyrido[4,3-b]indol-7-yl)propanamide
CAS: 2267290-96-8
CID: 139593563
Formula: C33H34N6O7
MW: 626.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight626.7
XLogP32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass626.24889744
Monoisotopic Mass626.24889744
Topological Polar Surface Area172 Ų
Heavy Atom Count46
Formal Charge0
Complexity1140
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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