AC1LD6GA

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

Also Known As: VU0233408-4|F3129-0210|N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide|N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide|N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)acetamide|2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-piperonyl-acetamide|N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanamide|N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetamide|N-[(2H-1,3-benzodioxol-5-yl)methyl](4-cyano-1-methyl-5,6,7,8-tetrahydro-3-isoquinolylthio)acetamide

Molecular Formula	C21H21N3O3S
Molecular Weight	395.13037 g/mol
LogP	3.8
Topological Polar Surface Area	110.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	395.13037
Monoisotopic Mass	395.13037
Heavy Atoms	28
Complexity	609.0

Chemical Identifiers

CAS Number	607696-76-4
SMILES	CC1=C2CCCCC2=C(C(=N1)SCC(=O)NCC3=CC4=C(C=C3)OCO4)C#N
InChIKey	XODUZAZMRIFTJI-UHFFFAOYSA-N