1-[2-(3,5-dimethylphenoxy)acetyl]-3-[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

1-[2-(3,5-dimethylphenoxy)acetyl]-3-[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

Formula: C22H24F3N3O2S

SMILES: CC1=CC(OCC(=O)NC(=S)NC2=CC(=CC=C2N2CCCC2)C(F)(F)F)=CC(C)=C1

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

InChI: InChI=1S/C22H24F3N3O2S/c1-14-9-15(2)11-17(10-14)30-13-20(29)27-21(31)26-18-12-16(22(23,24)25)5-6-19(18)28-7-3-4-8-28/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H2,26,27,29,31)

Composition: C (58.52%), H (5.36%), F (12.62%), N (9.31%), O (7.09%), S (7.10%)

Molar Mass: 451.51

Atom Count: 55

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	451.154132688
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VGFUUWQUKQHJAY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	121.14
Topological Polar Surface Area	53.6
Polarizability	44.2
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H24F3N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00