C18H17N5O4S
5-amino-6-[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (Z)-6-(3,4-dihydroxybenzylidene)-5-imino-2-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
CAS: 846582-35-2
| Molecular Formula | C18H17N5O4S |
|---|---|
| Molecular Weight | 399.10013 g/mol |
| LogP | 0.8623 |
| Topological Polar Surface Area | 130.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.10013 |
| Monoisotopic Mass | 399.10013 |
| Heavy Atoms | 28 |
| Complexity | 1134.7828 |
Chemical Identifiers
| CAS Number | 846582-35-2 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CC2=NN3C(=C(C(=O)N=C3S2)/C=C/4\C=CC(=O)C(=C4)O)N |
Product Overview
C18H17N5O4S (CAS 846582-35-2), with molecular formula C18H17N5O4S and molecular weight 399.10013 g/mol. IUPAC: 5-amino-6-[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[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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