BIAdb NSC 309696 2827

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BIAdb NSC 309696 2827
Systematic (IUPAC) name
4-nitro-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]benzamide
Identifiers
CAS number	?
ATC code	?
PubChem	53453
Chemical data
Formula	C₂₇H₂₆N₂O₈
Mol. mass	506.50394
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

N/A

Unknown

*Molecular Weight

506.50394

*Exact Mass

506.168916

*Molecular Formula

C₂₇H₂₆N₂O₈

*IUPAC NAME

4-nitro-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]benzamide

*Canonical Smiles

COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

*Isomeric Smiles

COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

*XLogP

2.5

*Hydrogen bond donor

1

*Hydrogen bond acceptor

8

*Rotational Bond Count

6

*Topological Polar Surface Area

126