AC1M041X
(6Z)-6-[[4-[3-(4-ethylphenoxy)propoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-6-[[4-[3-(4-ethylphenoxy)propoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6Z)-6-{4-[3-(4-ethylphenoxy)propoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(Z)-6-(4-(3-(4-ethylphenoxy)propoxy)benzylidene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C28H25N5O3S |
|---|---|
| Molecular Weight | 511.16782 g/mol |
| LogP | 5.15937 |
| Topological Polar Surface Area | 100.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 511.16782 |
| Monoisotopic Mass | 511.16782 |
| Heavy Atoms | 37 |
| Complexity | 1383.5797 |
Chemical Identifiers
| CAS Number | 845982-49-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)/C=C\3/C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5 |
Product Overview
AC1M041X (CAS 845982-49-2), with molecular formula C28H25N5O3S and molecular weight 511.16782 g/mol. IUPAC: (6Z)-6-[[4-[3-(4-ethylphenoxy)propoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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