AC1LUP6P
(6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6Z)-5-imino-6-{3-methoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(Z)-5-imino-6-(3-methoxy-4-((2-nitrobenzyl)oxy)benzylidene)-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C25H18N6O5S |
|---|---|
| Molecular Weight | 514.10596 g/mol |
| LogP | 4.24487 |
| Topological Polar Surface Area | 143.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.10596 |
| Monoisotopic Mass | 514.10596 |
| Heavy Atoms | 37 |
| Complexity | 1518.9617 |
Chemical Identifiers
| CAS Number | 586997-82-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)C4=CN=CC=C4)OCC5=CC=CC=C5[N+](=O)[O-] |
Product Overview
AC1LUP6P (CAS 586997-82-2), with molecular formula C25H18N6O5S and molecular weight 514.10596 g/mol. IUPAC: (6Z)-5-imino-6-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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