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

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

Formula: C21H21ClF3N3O2S

SMILES: CCOC1=CC=C(C=C1Cl)C(=O)NC(=S)NC1=CC(=CC=C1N1CCCC1)C(F)(F)F

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

InChI: InChI=1S/C21H21ClF3N3O2S/c1-2-30-18-8-5-13(11-15(18)22)19(29)27-20(31)26-16-12-14(21(23,24)25)6-7-17(16)28-9-3-4-10-28/h5-8,11-12H,2-4,9-10H2,1H3,(H2,26,27,29,31)

Composition: C (53.45%), H (4.49%), Cl (7.51%), F (12.08%), N (8.90%), O (6.78%), S (6.79%)

Molar Mass: 471.92

Atom Count: 52

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	471.0995103
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	RIICJRNEOCOHCF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	121.78
Topological Polar Surface Area	53.6
Polarizability	44.27
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21ClF3N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00