AC1LZ2E1
(6E)-3-benzylsulfanyl-5-imino-6-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Also Known As: (E)-3-(benzylthio)-5-imino-6-((1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7(6H)-one|(6E)-3-benzylsulfanyl-5-imino-6-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
| Molecular Formula | C26H23N5O2S2 |
|---|---|
| Molecular Weight | 501.1293 g/mol |
| LogP | 5.61281 |
| Topological Polar Surface Area | 83.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.1293 |
| Monoisotopic Mass | 501.1293 |
| Heavy Atoms | 35 |
| Complexity | 1422.7488 |
Chemical Identifiers
| CAS Number | 449772-23-0 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2OC)C)/C=C/3\C(=N)N4C(=NC3=O)SN=C4SCC5=CC=CC=C5 |
Product Overview
AC1LZ2E1 (CAS 449772-23-0), with molecular formula C26H23N5O2S2 and molecular weight 501.1293 g/mol. IUPAC: (6E)-3-benzylsulfanyl-5-imino-6-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one.
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