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WX 671

CAT: 0926-QYA36825-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-QYA36825-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
590368-25-5
MDL Number
MFCD20526529
Smiles
CCOC (=O) N1CCN (CC1) C (=O) [C@H] (CC2=CC (=CC=C2) /C=N/NO) NS (=O) (=O) C3=C (C=C (C=C3C (C) C) C (C) C) C (C) C
Molecular Formula
C32H47N5O6S
Molecular Weight
629.81 g/mol
Controlled
No

Chemical Information

Wx-671
CAS Number590368-25-5
PubChem CID56843330
IUPAC Nameethyl 4-[(2S)-3-[3-[(E)-(hydroxyhydrazinylidene)methyl]phenyl]-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazine-1-carboxylate
Molecular FormulaC32H47N5O6S
Molecular Weight629.8
XLogP5.4
Topological Polar Surface Area149
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count44
Formal Charge0
Complexity1040
SMILES
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC(=CC=C2)/C=N/NO)NS(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C32H47N5O6S/c1-8-43-32(39)37-14-12-36(13-15-37)31(38)29(17-24-10-9-11-25(16-24)20-33-35-40)34-44(41,42)30-27(22(4)5)18-26(21(2)3)19-28(30)23(6)7/h9-11,16,18-23,29,34-35,40H,8,12-15,17H2,1-7H3/b33-20+/t29-/m0/s1
InChIKey
CYCFEEXTLQGJEL-XEOXDSMQSA-N
Chemical Structure
2D Structure
2D structure of Wx-671
CAS: 590368-25-5
CID: 56843330
Formula: C32H47N5O6S
MW: 629.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight629.8
XLogP35.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass629.32470541
Monoisotopic Mass629.32470541
Topological Polar Surface Area149 Ų
Heavy Atom Count44
Formal Charge0
Complexity1040
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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