2-{[4-cyano-1-(thiophen-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide

2-{[4-cyano-1-(thiophen-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide

Formula: C22H18FN3OS2

SMILES: FC1=CC(NC(=O)CSC2=C(C#N)C3=C(CCCC3)C(=N2)C2=CC=CS2)=CC=C1

IUPAC: 2-{[4-cyano-1-(thiophen-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide

InChI: InChI=1S/C22H18FN3OS2/c23-14-5-3-6-15(11-14)25-20(27)13-29-22-18(12-24)16-7-1-2-8-17(16)21(26-22)19-9-4-10-28-19/h3-6,9-11H,1-2,7-8,13H2,(H,25,27)

Composition: C (62.39%), H (4.28%), F (4.49%), N (9.92%), O (3.78%), S (15.14%)

Molar Mass: 423.52

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	423.087532723
Formal Charge	0
FSP3	0.23
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FKZWEOIMAHCUBK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	116.56
Topological Polar Surface Area	65.78
Polarizability	44.55
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H18FN3OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00