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Chemical structure of Antifungal agent 6

GC75240

Antifungal agent 6

Also known as 4-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-[(4-methylphenyl)methyl]-4-oxobutanoic acid

Antifungal agent 6 is an antifungal agent

ChemicalCAS332849-40-8MW369.41FormulaC21H23NO5
CAS number
332849-40-8
Molecular weight
369.41
Formula
C21H23NO5
Solubility
DMSO: 125 mg/mL (338·38 mM; Need ultrasonic)
InChIKey
WFDVRQOVLBEPIS-UHFFFAOYSA-N
Catalogue number
GC75240
Brand
GLPBIO
Computed properties PubChem CID 3133539 · XLogP 3.1 · TPSA 84.9 Ų · H-bond donors 2
XLogP
3.1
TPSA
84.9 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
27

SMILES CC1=CC=C(C=C1)CC(CC(=O)NCCC2=CC3=C(C=C2)OCO3)C(=O)O

Computed descriptors from PubChem (CID 3133539), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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