AC1M02NE
(6Z)-6-[[3-ethoxy-4-[(3-methylphenyl)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-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6Z)-6-{3-ethoxy-4-[(3-methylbenzyl)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-ethoxy-4-((3-methylbenzyl)oxy)benzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C27H23N5O3S |
|---|---|
| Molecular Weight | 497.15216 g/mol |
| LogP | 5.03519 |
| Topological Polar Surface Area | 100.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.15216 |
| Monoisotopic Mass | 497.15216 |
| Heavy Atoms | 36 |
| Complexity | 1432.3314 |
Chemical Identifiers
| CAS Number | 845804-97-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)C4=CN=CC=C4)OCC5=CC=CC(=C5)C |
Product Overview
AC1M02NE (CAS 845804-97-9), with molecular formula C27H23N5O3S and molecular weight 497.15216 g/mol. IUPAC: (6Z)-6-[[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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