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

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

Formula: C21H22F3N3OS

SMILES: CC1=CC(=CC=C1)C(=O)NC(=S)NC1=CC(=CC=C1N1CCCCC1)C(F)(F)F

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

InChI: InChI=1S/C21H22F3N3OS/c1-14-6-5-7-15(12-14)19(28)26-20(29)25-17-13-16(21(22,23)24)8-9-18(17)27-10-3-2-4-11-27/h5-9,12-13H,2-4,10-11H2,1H3,(H2,25,26,28,29)

Composition: C (59.84%), H (5.26%), F (13.52%), N (9.97%), O (3.80%), S (7.61%)

Molar Mass: 421.48

Atom Count: 51

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	421.143568003
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	OUEDJDJCIUOWID-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	115.41
Topological Polar Surface Area	44.37
Polarizability	41.52
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H22F3N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00