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

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

Formula: C26H24ClN3OS

SMILES: ClC1=CC=C(C=C1)C1=NC(SCC(=O)NCCC2=CC=CC=C2)=C(C#N)C2=C1CCCC2

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

InChI: InChI=1S/C26H24ClN3OS/c27-20-12-10-19(11-13-20)25-22-9-5-4-8-21(22)23(16-28)26(30-25)32-17-24(31)29-15-14-18-6-2-1-3-7-18/h1-3,6-7,10-13H,4-5,8-9,14-15,17H2,(H,29,31)

Composition: C (67.59%), H (5.24%), Cl (7.67%), N (9.10%), O (3.46%), S (6.94%)

Molar Mass: 462.01

Atom Count: 56

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	461.1328613
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UUUYONVUCCVBNN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	132.06
Topological Polar Surface Area	65.78
Polarizability	51.8
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H24ClN3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00