1-(3-bromo-4-methoxybenzoyl)-3-[4-(4-propanoylpiperazin-1-yl)phenyl]thiourea

1-(3-bromo-4-methoxybenzoyl)-3-[4-(4-propanoylpiperazin-1-yl)phenyl]thiourea

Formula: C22H25BrN4O3S

SMILES: CCC(=O)N1CCN(CC1)C1=CC=C(NC(=S)NC(=O)C2=CC=C(OC)C(Br)=C2)C=C1

IUPAC: 1-(3-bromo-4-methoxybenzoyl)-3-[4-(4-propanoylpiperazin-1-yl)phenyl]thiourea

InChI: InChI=1S/C22H25BrN4O3S/c1-3-20(28)27-12-10-26(11-13-27)17-7-5-16(6-8-17)24-22(31)25-21(29)15-4-9-19(30-2)18(23)14-15/h4-9,14H,3,10-13H2,1-2H3,(H2,24,25,29,31)

Composition: C (52.28%), H (4.99%), Br (15.81%), N (11.09%), O (9.50%), S (6.34%)

Molar Mass: 505.43

Atom Count: 56

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	504.083075
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	JTBWDVCKCYFHSS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	131.29
Topological Polar Surface Area	73.91
Polarizability	48.96
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H25BrN4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00