1'-{[3-(trifluoromethyl)phenyl]carbamothioyl}-[1,4'-bipiperidine]-4'-carboxamide

1'-{[3-(trifluoromethyl)phenyl]carbamothioyl}-[1,4'-bipiperidine]-4'-carboxamide

Formula: C19H25F3N4OS

SMILES: NC(=O)C1(CCN(CC1)C(=S)NC1=CC=CC(=C1)C(F)(F)F)N1CCCCC1

IUPAC: 1'-{[3-(trifluoromethyl)phenyl]carbamothioyl}-[1,4'-bipiperidine]-4'-carboxamide

InChI: InChI=1S/C19H25F3N4OS/c20-19(21,22)14-5-4-6-15(13-14)24-17(28)25-11-7-18(8-12-25,16(23)27)26-9-2-1-3-10-26/h4-6,13H,1-3,7-12H2,(H2,23,27)(H,24,28)

Composition: C (55.06%), H (6.08%), F (13.75%), N (13.52%), O (3.86%), S (7.73%)

Molar Mass: 414.49

Atom Count: 53

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	414.170117104
Formal Charge	0
FSP3	0.58
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	XHFAOLKURWGASZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.9
Topological Polar Surface Area	61.6
Polarizability	40.42
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H25F3N4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00