BIAdb CID635301 1781

BIAdb CID635301 1781
Systematic (IUPAC) name
1,2,3,10-tetramethoxy-7-[(3,3,3-trifluoro-2-oxopropyl)amino]-6,7-dihydro-5H-benzo[g]heptalen-9-one
Identifiers
CAS number	?
ATC code	?
PubChem	635301
Chemical data
Formula	C₂₃H₂₄F₃NO₆
Mol. mass	467.43497
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

467.43497

*Exact Mass

467.155572

*Molecular Formula

C₂₃H₂₄F₃NO₆

*IUPAC NAME

1,2,3,10-tetramethoxy-7-[(3,3,3-trifluoro-2-oxopropyl)amino]-6,7-dihydro-5H-benzo[g]heptalen-9-one

*Canonical Smiles

COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NCC(=O)C(F)(F)F

*Isomeric Smiles

N/A

*XLogP

2.2

*Hydrogen bond donor

1

*Hydrogen bond acceptor

10

*Rotational Bond Count

7

*Topological Polar Surface Area

83.1