1-(4-chlorobenzoyl)-3-[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

1-(4-chlorobenzoyl)-3-[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

Formula: C19H17ClF3N3OS

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

IUPAC: 1-(4-chlorobenzoyl)-3-[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

InChI: InChI=1S/C19H17ClF3N3OS/c20-14-6-3-12(4-7-14)17(27)25-18(28)24-15-11-13(19(21,22)23)5-8-16(15)26-9-1-2-10-26/h3-8,11H,1-2,9-10H2,(H2,24,25,27,28)

Composition: C (53.34%), H (4.00%), Cl (8.29%), F (13.32%), N (9.82%), O (3.74%), S (7.49%)

Molar Mass: 427.87

Atom Count: 45

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	427.0732955
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	HUQQKHQKJUONML-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	110.57
Topological Polar Surface Area	44.37
Polarizability	39.87
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H17ClF3N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00