2-bromo-N-[2-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

2-bromo-N-[2-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

Formula: C23H18BrN3O2S2

SMILES: CC1=CC=C(NC(=O)CSC2=NC3=CC=C(NC(=O)C4=CC=CC=C4Br)C=C3S2)C=C1

IUPAC: 2-bromo-N-[2-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide

InChI: InChI=1S/C23H18BrN3O2S2/c1-14-6-8-15(9-7-14)25-21(28)13-30-23-27-19-11-10-16(12-20(19)31-23)26-22(29)17-4-2-3-5-18(17)24/h2-12H,13H2,1H3,(H,25,28)(H,26,29)

Composition: C (53.91%), H (3.54%), Br (15.59%), N (8.20%), O (6.24%), S (12.51%)

Molar Mass: 512.44

Atom Count: 49

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	511.002382
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	GJZURYPRYMQTFX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	132.07
Topological Polar Surface Area	71.09
Polarizability	50.25
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H18BrN3O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00