2-[(4-bromophenyl)sulfanyl]-N-(6-acetamido-1,3-benzothiazol-2-yl)acetamide

2-[(4-bromophenyl)sulfanyl]-N-(6-acetamido-1,3-benzothiazol-2-yl)acetamide

Formula: C17H14BrN3O2S2

SMILES: CC(=O)NC1=CC=C2N=C(NC(=O)CSC3=CC=C(Br)C=C3)SC2=C1

IUPAC: 2-[(4-bromophenyl)sulfanyl]-N-(6-acetamido-1,3-benzothiazol-2-yl)acetamide

InChI: InChI=1S/C17H14BrN3O2S2/c1-10(22)19-12-4-7-14-15(8-12)25-17(20-14)21-16(23)9-24-13-5-2-11(18)3-6-13/h2-8H,9H2,1H3,(H,19,22)(H,20,21,23)

Composition: C (46.80%), H (3.23%), Br (18.31%), N (9.63%), O (7.33%), S (14.69%)

Molar Mass: 436.34

Atom Count: 39

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	434.971082
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	IVKACOIZVJOVCX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.36
Topological Polar Surface Area	71.09
Polarizability	40.8
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H14BrN3O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00