Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate
ethyl 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate
Also Known As: ChemDiv1_008381|DivK1c_003021|HMS610M21|CDS1_001981|BAS 00288820|SR-01000470377-1|ethyl {[4-cyano-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate|ethyl 2-((4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)acetate|ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate|ethyl 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate|ETHYL 2-{[4-CYANO-1-(MORPHOLIN-4-YL)-5,6,7,8-TETRAHYDROISOQUINOLIN-3-YL]SULFANYL}ACETATE
| Molecular Formula | C18H23N3O3S |
|---|---|
| Molecular Weight | 361.14603 g/mol |
| LogP | 2.32388 |
| Topological Polar Surface Area | 75.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.14603 |
| Monoisotopic Mass | 361.14603 |
| Heavy Atoms | 25 |
| Complexity | 681.1243 |
Chemical Identifiers
| CAS Number | 54585-48-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C2=C(CCCC2)C(=N1)N3CCOCC3)C#N |
Product Overview
Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate (CAS 54585-48-7), with molecular formula C18H23N3O3S and molecular weight 361.14603 g/mol. IUPAC: ethyl 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate.