2-{[3-cyano-6-(furan-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(3-ethoxypropyl)acetamide

2-{[3-cyano-6-(furan-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(3-ethoxypropyl)acetamide

Formula: C18H18F3N3O3S

SMILES: CCOCCCNC(=O)CSC1=NC(=CC(=C1C#N)C(F)(F)F)C1=CC=CO1

IUPAC: 2-{[3-cyano-6-(furan-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(3-ethoxypropyl)acetamide

InChI: InChI=1S/C18H18F3N3O3S/c1-2-26-7-4-6-23-16(25)11-28-17-12(10-22)13(18(19,20)21)9-14(24-17)15-5-3-8-27-15/h3,5,8-9H,2,4,6-7,11H2,1H3,(H,23,25)

Composition: C (52.30%), H (4.39%), F (13.79%), N (10.16%), O (11.61%), S (7.75%)

Molar Mass: 413.42

Atom Count: 46

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	413.102097115
Formal Charge	0
FSP3	0.39
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OTEYVHUBFRBQOE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.43
Topological Polar Surface Area	88.15
Polarizability	38.06
Ring Count	2
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H18F3N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00