AC1O1OJN
(6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-2-[(3,4-dimethoxyphenyl)methyl]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-6-(benzo[d][1,3]dioxol-5-ylmethylene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|(6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-2-[(3,4-dimethoxyphenyl)methyl]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CAS: 577694-49-6
| Molecular Formula | C22H18N4O5S |
|---|---|
| Molecular Weight | 450.0998 g/mol |
| LogP | 3.29437 |
| Topological Polar Surface Area | 105.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.0998 |
| Monoisotopic Mass | 450.0998 |
| Heavy Atoms | 32 |
| Complexity | 1236.8221 |
Chemical Identifiers
| CAS Number | 577694-49-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN3C(=N)/C(=C/C4=CC5=C(C=C4)OCO5)/C(=O)N=C3S2)OC |
Product Overview
AC1O1OJN (CAS 577694-49-6), with molecular formula C22H18N4O5S and molecular weight 450.0998 g/mol. IUPAC: (6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-2-[(3,4-dimethoxyphenyl)methyl]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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