BIAdb COLCHICINE DERIV 1890

BIAdb COLCHICINE DERIV 1890
Systematic (IUPAC) name
2,2,2-trifluoro-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)acetamide
Identifiers
CAS number	?
ATC code	?
PubChem	100037
Chemical data
Formula	C₂₂H₂₂F₃NO₅S
Mol. mass	469.47399
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

469.47399

*Exact Mass

469.117078

*Molecular Formula

C₂₂H₂₂F₃NO₅S

*IUPAC NAME

2,2,2-trifluoro-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)acetamide

*Canonical Smiles

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C(F)(F)F)OC)OC

*Isomeric Smiles

N/A

*XLogP

2.9

*Hydrogen bond donor

1

*Hydrogen bond acceptor

8

*Rotational Bond Count

5

*Topological Polar Surface Area

73.9