BIAdb CID5370577 1763

BIAdb CID5370577 1763
Systematic (IUPAC) name
(7-acetamido-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate
Identifiers
CAS number	?
ATC code	?
PubChem	5370577
Chemical data
Formula	C₃₁H₃₁NO₇
Mol. mass	529.58034
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

529.58034

*Exact Mass

529.210052

*Molecular Formula

C₃₁H₃₁NO₇

*IUPAC NAME

(7-acetamido-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-2-yl) (E)-3-(4-methylphenyl)prop-2-enoate

*Canonical Smiles

CC1=CC=C(C=C1)C=CC(=O)OC2=C(C=C3CCC(C4=CC(=O)C(=CC=C4C3=C2OC)OC)NC(=O)C)OC

*Isomeric Smiles

CC1=CC=C(C=C1)/C=C/C(=O)OC2=C(C=C3CCC(C4=CC(=O)C(=CC=C4C3=C2OC)OC)NC(=O)C)OC

*XLogP

3.3

*Hydrogen bond donor

1

*Hydrogen bond acceptor

7

*Rotational Bond Count

8

*Topological Polar Surface Area

100