3-(2-bromobenzoyl)-1-{4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl}thiourea

3-(2-bromobenzoyl)-1-{4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl}thiourea

Formula: C23H21BrN4O2S2

SMILES: BrC1=CC=CC=C1C(=O)NC(=S)NC1=CC=C(C=C1)N1CCN(CC1)C(=O)C1=CC=CS1

IUPAC: 3-(2-bromobenzoyl)-1-{4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl}thiourea

InChI: InChI=1S/C23H21BrN4O2S2/c24-19-5-2-1-4-18(19)21(29)26-23(31)25-16-7-9-17(10-8-16)27-11-13-28(14-12-27)22(30)20-6-3-15-32-20/h1-10,15H,11-14H2,(H2,25,26,29,31)

Composition: C (52.18%), H (4.00%), Br (15.09%), N (10.58%), O (6.04%), S (12.11%)

Molar Mass: 529.47

Atom Count: 53

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	528.028931
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JSGBGHCFNKVDIT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	137.76
Topological Polar Surface Area	64.68
Polarizability	50.8
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H21BrN4O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00