C25H24N4O5S
5-amino-2-[(3,4-dimethoxyphenyl)methyl]-6-[(Z)-(3-methoxy-4-oxo-5-prop-2-enylcyclohexa-2,5-dien-1-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-6-(3-allyl-4-hydroxy-5-methoxybenzylidene)-2-(3,4-dimethoxybenzyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
CAS: 577761-60-5
| Molecular Formula | C25H24N4O5S |
|---|---|
| Molecular Weight | 492.14673 g/mol |
| LogP | 3.3401 |
| Topological Polar Surface Area | 118.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.14673 |
| Monoisotopic Mass | 492.14673 |
| Heavy Atoms | 35 |
| Complexity | 1478.979 |
Chemical Identifiers
| CAS Number | 577761-60-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN3C(=C(C(=O)N=C3S2)/C=C\4/C=C(C(=O)C(=C4)OC)CC=C)N)OC |
Product Overview
C25H24N4O5S (CAS 577761-60-5), with molecular formula C25H24N4O5S and molecular weight 492.14673 g/mol. IUPAC: 5-amino-2-[(3,4-dimethoxyphenyl)methyl]-6-[(Z)-(3-methoxy-4-oxo-5-prop-2-enylcyclohexa-2,5-dien-1-ylidene)methyl]-[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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