1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2H-1,3-benzothiazol-3-yl-(3,5-dichloro-4-methoxyphenyl)methanone

2.1.2 InChI

InChI=1S/C15H11Cl2NO2S/c1-20-14-10(16)6-9(7-11(14)17)15(19)18-8-21-13-5-3-2-4-12(13)18/h2-7H,8H2,1H3

2.1.3 InChI Key

LCARXXDVYQTVNF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C(C=C1Cl)C(=O)N2CSC3=CC=CC=C32)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1285573-42-3

2. Starbld0009115

3. Schembl10324036

4. Lcarxxdvyqtvnf-uhfffaoysa-n

5. 3-(3,5-dichloro-4-methoxybenzoyl)-2,3-dihydro-1,3-benzothiazole

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₁Cl₂NO₂S
Molecular Weight	340.2 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	54.8
Heavy Atom Count	21
Formal Charge	0
Complexity	386
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

Benzo[d]thiazol-3(2H)-yl(3,5-dichloro-4-methoxyphenyl)methanone