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

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

Formula: C21H22F3N3O2S

SMILES: COC1=CC=CC(=C1)C(=O)NC(=S)NC1=CC(=CC=C1N1CCCCC1)C(F)(F)F

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

InChI: InChI=1S/C21H22F3N3O2S/c1-29-16-7-5-6-14(12-16)19(28)26-20(30)25-17-13-15(21(22,23)24)8-9-18(17)27-10-3-2-4-11-27/h5-9,12-13H,2-4,10-11H2,1H3,(H2,25,26,28,30)

Composition: C (57.66%), H (5.07%), F (13.03%), N (9.61%), O (7.31%), S (7.33%)

Molar Mass: 437.48

Atom Count: 52

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	437.138482623
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	TUOTUTTZVSXBAB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	116.83
Topological Polar Surface Area	53.6
Polarizability	42.31
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H22F3N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00