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

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

Formula: C18H25N3OS

SMILES: CCN(CC)C(=O)CSC1=NC(CC)=C2CCCCC2=C1C#N

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

InChI: InChI=1S/C18H25N3OS/c1-4-16-14-10-8-7-9-13(14)15(11-19)18(20-16)23-12-17(22)21(5-2)6-3/h4-10,12H2,1-3H3

Composition: C (65.22%), H (7.60%), N (12.68%), O (4.83%), S (9.67%)

Molar Mass: 331.48

Atom Count: 48

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	331.171833611
Formal Charge	0
FSP3	0.61
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RQIUCRHTOSEXSW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.74
Topological Polar Surface Area	56.99
Polarizability	36.67
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H25N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00