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

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

Formula: C17H13BrN4O4S

SMILES: [O-][N+](=O)C1=CC=C(C=C1)C1=NN=C(O1)SCCC(=O)NC1=CC=C(Br)C=C1

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

InChI: InChI=1S/C17H13BrN4O4S/c18-12-3-5-13(6-4-12)19-15(23)9-10-27-17-21-20-16(26-17)11-1-7-14(8-2-11)22(24)25/h1-8H,9-10H2,(H,19,23)

Composition: C (45.45%), H (2.92%), Br (17.78%), N (12.47%), O (14.24%), S (7.14%)

Molar Mass: 449.28

Atom Count: 40

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	447.984089
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	HVNMMHJPRMMMOE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.37
Topological Polar Surface Area	111.16
Polarizability	39.89
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H13BrN4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00