2-{[7-methoxy-4-(trifluoromethyl)quinolin-2-yl]sulfanyl}-N-[(3-methylphenyl)methyl]acetamide

2-{[7-methoxy-4-(trifluoromethyl)quinolin-2-yl]sulfanyl}-N-[(3-methylphenyl)methyl]acetamide

Formula: C21H19F3N2O2S

SMILES: COC1=CC2=NC(SCC(=O)NCC3=CC=CC(C)=C3)=CC(=C2C=C1)C(F)(F)F

IUPAC: 2-{[7-methoxy-4-(trifluoromethyl)quinolin-2-yl]sulfanyl}-N-[(3-methylphenyl)methyl]acetamide

InChI: InChI=1S/C21H19F3N2O2S/c1-13-4-3-5-14(8-13)11-25-19(27)12-29-20-10-17(21(22,23)24)16-7-6-15(28-2)9-18(16)26-20/h3-10H,11-12H2,1-2H3,(H,25,27)

Composition: C (59.99%), H (4.56%), F (13.56%), N (6.66%), O (7.61%), S (7.63%)

Molar Mass: 420.45

Atom Count: 48

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	420.111933523
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MFTRLAKAWQIPOR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.09
Topological Polar Surface Area	51.22
Polarizability	41.56
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H19F3N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00