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Chemical structure of Antiviral agent 30

GC75532

Antiviral agent 30

Also known as ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Antiviral agent 30 (Example 118) is an antiviral agent

ChemicalCAS381731-49-3MW392.56FormulaC21H32N2O3S
CAS number
381731-49-3
Molecular weight
392.56
Formula
C21H32N2O3S
Solubility
DMSO: 50 mg/mL (127·37 mM; Need ultrasonic)
InChIKey
MYYREYNATUCYBC-UHFFFAOYSA-N
Catalogue number
GC75532
Brand
GLPBIO
Computed properties PubChem CID 1586888 · XLogP 4.9 · TPSA 86.9 Ų · H-bond donors 1
XLogP
4.9
TPSA
86.9 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
27

SMILES CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCN3CCC(CC3)C

Computed descriptors from PubChem (CID 1586888), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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