2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenylacetamide

2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenylacetamide

Formula: C20H21N3OS

SMILES: CCC1=NC(SCC(=O)NC2=CC=CC=C2)=C(C#N)C2=C1CCCC2

IUPAC: 2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenylacetamide

InChI: InChI=1S/C20H21N3OS/c1-2-18-16-11-7-6-10-15(16)17(12-21)20(23-18)25-13-19(24)22-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-11,13H2,1H3,(H,22,24)

Composition: C (68.35%), H (6.02%), N (11.96%), O (4.55%), S (9.12%)

Molar Mass: 351.47

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	351.140533482
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OYOJSCVOTNXYPT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.91
Topological Polar Surface Area	65.78
Polarizability	38.89
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H21N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00