1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(6-methoxyindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone

2.1.2 InChI

InChI=1S/C19H19NO5/c1-22-14-6-5-12-7-8-20(15(12)11-14)19(21)13-9-16(23-2)18(25-4)17(10-13)24-3/h5-11H,1-4H3

2.1.3 InChI Key

USUZBTSVWMMRSK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC2=C(C=C1)C=CN2C(=O)C3=CC(=C(C(=C3)OC)OC)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Chembl363443

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₉NO₅
Molecular Weight	341.4 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	341.12632271 g/mol
Monoisotopic Mass	341.12632271 g/mol
Topological Polar Surface Area	58.9 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	445
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Agn-Pc-004Wxe