BIAdb CID541727 1764

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BIAdb CID541727 1764
Systematic (IUPAC) name
N-(3,10-dihydroxy-1,2-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)-2,2,2-trifluoroacetamide
Identifiers
CAS number	?
ATC code	?
PubChem	541727
Chemical data
Formula	C₂₀H₁₈F₃NO₆
Mol. mass	425.35523
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

425.35523

*Exact Mass

425.108622

*Molecular Formula

C₂₀H₁₈F₃NO₆

*IUPAC NAME

N-(3,10-dihydroxy-1,2-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)-2,2,2-trifluoroacetamide

*Canonical Smiles

COC1=C(C=C2CCC(C3=CC(=O)C(=CC=C3C2=C1OC)O)NC(=O)C(F)(F)F)O

*Isomeric Smiles

N/A

*XLogP

1.5

*Hydrogen bond donor

3

*Hydrogen bond acceptor

9

*Rotational Bond Count

3

*Topological Polar Surface Area

105