2-bromo-N-(2-{[2-(naphthalen-2-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

2-bromo-N-(2-{[2-(naphthalen-2-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

Formula: C26H17BrN2O2S2

SMILES: BrC1=CC=CC=C1C(=O)NC1=CC=C2N=C(SCC(=O)C3=CC4=CC=CC=C4C=C3)SC2=C1

IUPAC: 2-bromo-N-(2-{[2-(naphthalen-2-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

InChI: InChI=1S/C26H17BrN2O2S2/c27-21-8-4-3-7-20(21)25(31)28-19-11-12-22-24(14-19)33-26(29-22)32-15-23(30)18-10-9-16-5-1-2-6-17(16)13-18/h1-14H,15H2,(H,28,31)

Composition: C (58.54%), H (3.21%), Br (14.98%), N (5.25%), O (6.00%), S (12.02%)

Molar Mass: 533.46

Atom Count: 50

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	531.991483
Formal Charge	0
FSP3	0.04
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KHPJGRHKVONITM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	139.02
Topological Polar Surface Area	59.06
Polarizability	54.79
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H17BrN2O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00