AC1NY4DC
(6Z)-6-[[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-6-[[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6Z)-6-{4-[2-(2,6-dimethylphenoxy)ethoxy]benzylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(Z)-6-(4-(2-(2,6-dimethylphenoxy)ethoxy)benzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C28H29N5O4S |
|---|---|
| Molecular Weight | 531.19403 g/mol |
| LogP | 4.39291 |
| Topological Polar Surface Area | 107.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.19403 |
| Monoisotopic Mass | 531.19403 |
| Heavy Atoms | 38 |
| Complexity | 1339.549 |
Chemical Identifiers
| CAS Number | 847366-83-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCCOC2=CC=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)CC(=O)N5CCCC5 |
Product Overview
AC1NY4DC (CAS 847366-83-0), with molecular formula C28H29N5O4S and molecular weight 531.19403 g/mol. IUPAC: (6Z)-6-[[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.