AC1NY250
(6E)-5-imino-2-pentan-3-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|(6E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-5-imino-2-pentan-3-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C20H24N4O4S |
|---|---|
| Molecular Weight | 416.15182 g/mol |
| LogP | 3.76777 |
| Topological Polar Surface Area | 96.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.15182 |
| Monoisotopic Mass | 416.15182 |
| Heavy Atoms | 29 |
| Complexity | 909.40405 |
Chemical Identifiers
| CAS Number | 877786-02-2 |
|---|---|
| SMILES | CCC(CC)C1=NN2C(=N)/C(=C\C3=CC(=C(C(=C3)OC)OC)OC)/C(=O)N=C2S1 |
Product Overview
AC1NY250 (CAS 877786-02-2), with molecular formula C20H24N4O4S and molecular weight 416.15182 g/mol. IUPAC: (6E)-5-imino-2-pentan-3-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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