3-amino-6-(4-methoxyphenyl)-N-(1-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(4-methoxyphenyl)-N-(1-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

CAS: 500272-94-6

Formula: C24H20F3N3O2S

SMILES: COC1=CC=C(C=C1)C1=CC(=C2C(N)=C(SC2=N1)C(=O)NC(C)C1=CC=CC=C1)C(F)(F)F

IUPAC: 3-amino-6-(4-methoxyphenyl)-N-(1-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

InChI: InChI=1/C24H20F3N3O2S/c1-13(14-6-4-3-5-7-14)29-22(31)21-20(28)19-17(24(25,26)27)12-18(30-23(19)33-21)15-8-10-16(32-2)11-9-15/h3-13H,28H2,1-2H3,(H,29,31)

Composition: C (61.14%), H (4.28%), F (12.09%), N (8.91%), O (6.79%), S (6.80%)

Molar Mass: 471.5

Atom Count: 53

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	471.122832559
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ABGDZTGIJDTUMB-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	121.89
Topological Polar Surface Area	77.24
Polarizability	46.61
Ring Count	4
Rotatable Bond Count	6

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	500272-94-6		$51.35-$86.31$51.35$63.37$86.31