AC1NZDTA
(6Z)-6-[[3-chloro-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-6-[[3-chloro-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6Z)-6-{3-chloro-4-[(2-nitrobenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(Z)-6-(3-chloro-4-((2-nitrobenzyl)oxy)benzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C24H15ClN6O4S |
|---|---|
| Molecular Weight | 518.0564 g/mol |
| LogP | 4.88967 |
| Topological Polar Surface Area | 134.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.0564 |
| Monoisotopic Mass | 518.0564 |
| Heavy Atoms | 36 |
| Complexity | 1505.4513 |
Chemical Identifiers
| CAS Number | 714291-87-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)COC2=C(C=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5)Cl)[N+](=O)[O-] |
Product Overview
AC1NZDTA (CAS 714291-87-9), with molecular formula C24H15ClN6O4S and molecular weight 518.0564 g/mol. IUPAC: (6Z)-6-[[3-chloro-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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