1-[2-(4-bromophenoxy)acetyl]-3-{4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}thiourea

1-[2-(4-bromophenoxy)acetyl]-3-{4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}thiourea

Formula: C24H23BrN4O4S

SMILES: BrC1=CC=C(OCC(=O)NC(=S)NC2=CC=C(C=C2)N2CCN(CC2)C(=O)C2=CC=CO2)C=C1

IUPAC: 1-[2-(4-bromophenoxy)acetyl]-3-{4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}thiourea

InChI: InChI=1S/C24H23BrN4O4S/c25-17-3-9-20(10-4-17)33-16-22(30)27-24(34)26-18-5-7-19(8-6-18)28-11-13-29(14-12-28)23(31)21-2-1-15-32-21/h1-10,15H,11-14,16H2,(H2,26,27,30,34)

Composition: C (53.04%), H (4.27%), Br (14.70%), N (10.31%), O (11.78%), S (5.90%)

Molar Mass: 543.44

Atom Count: 57

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	542.062339
Formal Charge	0
FSP3	0.21
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DKMGDVBGWGUMLI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	138.55
Topological Polar Surface Area	87.05
Polarizability	51.77
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H23BrN4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00