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

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

Formula: C19H17BrF3N3OS

SMILES: FC(F)(F)C1=CC=C(N2CCCC2)C(NC(=S)NC(=O)C2=CC=CC(Br)=C2)=C1

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

InChI: InChI=1S/C19H17BrF3N3OS/c20-14-5-3-4-12(10-14)17(27)25-18(28)24-15-11-13(19(21,22)23)6-7-16(15)26-8-1-2-9-26/h3-7,10-11H,1-2,8-9H2,(H2,24,25,27,28)

Composition: C (48.32%), H (3.63%), Br (16.92%), F (12.07%), N (8.90%), O (3.39%), S (6.79%)

Molar Mass: 472.32

Atom Count: 45

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	471.022781
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	URJHZPSOOGCZRQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	113.39
Topological Polar Surface Area	44.37
Polarizability	40.86
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H17BrF3N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00