3-(3-bromobenzoyl)-1-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

3-(3-bromobenzoyl)-1-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

Formula: C20H19BrF3N3OS

SMILES: FC(F)(F)C1=CC=C(N2CCCCC2)C(NC(=S)NC(=O)C2=CC=CC(Br)=C2)=C1

IUPAC: 3-(3-bromobenzoyl)-1-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

InChI: InChI=1S/C20H19BrF3N3OS/c21-15-6-4-5-13(11-15)18(28)26-19(29)25-16-12-14(20(22,23)24)7-8-17(16)27-9-2-1-3-10-27/h4-8,11-12H,1-3,9-10H2,(H2,25,26,28,29)

Composition: C (49.39%), H (3.94%), Br (16.43%), F (11.72%), N (8.64%), O (3.29%), S (6.59%)

Molar Mass: 486.35

Atom Count: 48

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	485.038431
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	CHNRPPLKQLFOHT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	117.99
Topological Polar Surface Area	44.37
Polarizability	42.67
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H19BrF3N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00