BIAdb CID5664280 1765

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BIAdb CID5664280 1765
Systematic (IUPAC) name
2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-N'-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]acetohydrazide
Identifiers
CAS number	?
ATC code	?
PubChem	5664280
Chemical data
Formula	C27H31N3O5
Mol. mass	477.55214
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

[edit] Description

[edit] Source

N/A

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

477.55214

*Exact Mass

477.226371

*Molecular Formula

C₂₇H₃₁N₃O₅

*IUPAC NAME

2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-N'-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]acetohydrazide

*Canonical Smiles

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC=C2C(=O)C=CC3=CC=CC=C32)[N+](=O)[O-]

*Isomeric Smiles

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NN/C=C/2C(=O)C=CC3=CC=CC=C32)[N+](=O)[O-]

*XLogP

7.1

*Hydrogen bond donor

2

*Hydrogen bond acceptor

6

*Rotational Bond Count

8

*Topological Polar Surface Area

111

[edit] External Links

• Pubchem

Link to BIAdb Database