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

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

Formula: C20H20BrN3OS

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

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

InChI: InChI=1S/C20H20BrN3OS/c1-2-18-16-6-4-3-5-15(16)17(11-22)20(24-18)26-12-19(25)23-14-9-7-13(21)8-10-14/h7-10H,2-6,12H2,1H3,(H,23,25)

Composition: C (55.82%), H (4.68%), Br (18.57%), N (9.76%), O (3.72%), S (7.45%)

Molar Mass: 430.36

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	429.051046
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HKSSNFZEPQVTHM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	111.53
Topological Polar Surface Area	65.78
Polarizability	41.62
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H20BrN3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00