2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Formula: C25H23F3N2OS

SMILES: FC(F)(F)C1=CC(=NC(SCC(=O)C23CC4CC(CC(C4)C2)C3)=C1C#N)C1=CC=CC=C1

IUPAC: 2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

InChI: InChI=1S/C25H23F3N2OS/c26-25(27,28)20-9-21(18-4-2-1-3-5-18)30-23(19(20)13-29)32-14-22(31)24-10-15-6-16(11-24)8-17(7-15)12-24/h1-5,9,15-17H,6-8,10-12,14H2

Composition: C (65.77%), H (5.08%), F (12.48%), N (6.14%), O (3.50%), S (7.02%)

Molar Mass: 456.53

Atom Count: 55

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	456.148319032
Formal Charge	0
FSP3	0.48
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RJVOUXURLCUQAM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	118.96
Topological Polar Surface Area	53.75
Polarizability	46.19
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H23F3N2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00