2-bromo-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide

2-bromo-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide

Formula: C18H17BrN4O3S

SMILES: [O-][N+](=O)C1=CC=C(C=C1)N1CCN(CC1)C(=S)NC(=O)C1=CC=CC=C1Br

IUPAC: 2-bromo-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide

InChI: InChI=1S/C18H17BrN4O3S/c19-16-4-2-1-3-15(16)17(24)20-18(27)22-11-9-21(10-12-22)13-5-7-14(8-6-13)23(25)26/h1-8H,9-12H2,(H,20,24,27)

Composition: C (48.12%), H (3.81%), Br (17.78%), N (12.47%), O (10.68%), S (7.14%)

Molar Mass: 449.32

Atom Count: 44

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	448.020475
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YAJDVGFJSPTIDX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.66
Topological Polar Surface Area	78.72
Polarizability	41.62
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H17BrN4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00