3-(5-bromonaphthalene-1-carbonyl)-1-{4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl}thiourea

3-(5-bromonaphthalene-1-carbonyl)-1-{4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl}thiourea

Formula: C27H23BrN4O2S2

SMILES: BrC1=C2C=CC=C(C(=O)NC(=S)NC3=CC=C(C=C3)N3CCN(CC3)C(=O)C3=CC=CS3)C2=CC=C1

IUPAC: 3-(5-bromonaphthalene-1-carbonyl)-1-{4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl}thiourea

InChI: InChI=1S/C27H23BrN4O2S2/c28-23-7-2-4-20-21(23)5-1-6-22(20)25(33)30-27(35)29-18-9-11-19(12-10-18)31-13-15-32(16-14-31)26(34)24-8-3-17-36-24/h1-12,17H,13-16H2,(H2,29,30,33,35)

Composition: C (55.96%), H (4.00%), Br (13.79%), N (9.67%), O (5.52%), S (11.06%)

Molar Mass: 579.53

Atom Count: 59

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	578.044581
Formal Charge	0
FSP3	0.15
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QFQHCVVDDSNIAF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	154.21
Topological Polar Surface Area	64.68
Polarizability	58.23
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H23BrN4O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00