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Zimet 38-74

CAT: 0931-T24713-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T24713-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
61930-49-2
Target
Others, Virus Protease
Related Pathways
Others, Microbiology/Virology
Bioactivity
Zimet 38-74 is an agent of antiviral.
Smiles
N(N=C(C)C1=CC=C(N(CCO)CCO)C=C1)C2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4
Molecular Formula
C27H28N4O2S
Molecular Weight
472.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Zimet 38-74

antiviral hetarylhydrazone

CAS Number61930-49-2
PubChem CID9567923
IUPAC Name2-[4-[(Z)-N-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-C-methylcarbonimidoyl]-N-(2-hydroxyethyl)anilino]ethanol
Molecular FormulaC27H28N4O2S
Molecular Weight472.6
XLogP5.2
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity610
SMILES
C/C(=N/NC1=NC(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3)/C4=CC=C(C=C4)N(CCO)CCO
InChI
InChI=1S/C27H28N4O2S/c1-20(21-12-14-24(15-13-21)31(16-18-32)17-19-33)29-30-27-28-25(22-8-4-2-5-9-22)26(34-27)23-10-6-3-7-11-23/h2-15,32-33H,16-19H2,1H3,(H,28,30)/b29-20-
InChIKey
YRKGEPNVZPXRIT-BRPDVVIDSA-N
Chemical Structure
2D Structure
2D structure of Zimet 38-74
CAS: 61930-49-2
CID: 9567923
Formula: C27H28N4O2S
MW: 472.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight472.6
XLogP35.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass472.19329732
Monoisotopic Mass472.19329732
Topological Polar Surface Area109 Ų
Heavy Atom Count34
Formal Charge0
Complexity610
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes