1-(5-bromonaphthalene-1-carbonyl)-3-[4-(4-butanoylpiperazin-1-yl)phenyl]thiourea

1-(5-bromonaphthalene-1-carbonyl)-3-[4-(4-butanoylpiperazin-1-yl)phenyl]thiourea

Formula: C26H27BrN4O2S

SMILES: CCCC(=O)N1CCN(CC1)C1=CC=C(NC(=S)NC(=O)C2=CC=CC3=C(Br)C=CC=C23)C=C1

IUPAC: 1-(5-bromonaphthalene-1-carbonyl)-3-[4-(4-butanoylpiperazin-1-yl)phenyl]thiourea

InChI: InChI=1S/C26H27BrN4O2S/c1-2-5-24(32)31-16-14-30(15-17-31)19-12-10-18(11-13-19)28-26(34)29-25(33)22-8-3-7-21-20(22)6-4-9-23(21)27/h3-4,6-13H,2,5,14-17H2,1H3,(H2,28,29,33,34)

Composition: C (57.89%), H (5.04%), Br (14.81%), N (10.39%), O (5.93%), S (5.94%)

Molar Mass: 539.49

Atom Count: 61

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	538.10381
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CCRXNLIKGCQMCV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	145.88
Topological Polar Surface Area	64.68
Polarizability	55.68
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H27BrN4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00