2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(1-phenylethyl)acetamide

2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(1-phenylethyl)acetamide

Formula: C18H16BrN3O2S

SMILES: CC(NC(=O)CSC1=NN=C(O1)C1=CC=C(Br)C=C1)C1=CC=CC=C1

IUPAC: 2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(1-phenylethyl)acetamide

InChI: InChI=1/C18H16BrN3O2S/c1-12(13-5-3-2-4-6-13)20-16(23)11-25-18-22-21-17(24-18)14-7-9-15(19)10-8-14/h2-10,12H,11H2,1H3,(H,20,23)

Composition: C (51.68%), H (3.86%), Br (19.10%), N (10.05%), O (7.65%), S (7.66%)

Molar Mass: 418.31

Atom Count: 41

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	417.014661
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LCXXWOWTPAMSMB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.92
Topological Polar Surface Area	68.02
Polarizability	39.71
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16BrN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00