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

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

Formula: C20H19BrF3N3O2S

SMILES: COC1=CC=C(Br)C=C1C(=O)NC(=S)NC1=CC(=CC=C1N1CCCC1)C(F)(F)F

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

InChI: InChI=1S/C20H19BrF3N3O2S/c1-29-17-7-5-13(21)11-14(17)18(28)26-19(30)25-15-10-12(20(22,23)24)4-6-16(15)27-8-2-3-9-27/h4-7,10-11H,2-3,8-9H2,1H3,(H2,25,26,28,30)

Composition: C (47.82%), H (3.81%), Br (15.91%), F (11.35%), N (8.36%), O (6.37%), S (6.38%)

Molar Mass: 502.35

Atom Count: 49

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	501.033346
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ILUVJWCFAJQGRY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	119.85
Topological Polar Surface Area	53.6
Polarizability	43.42
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H19BrF3N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00