AC1NYWEY
(6E)-6-[[1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-ethylsulfanyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-6-[[1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-ethylsulfanyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-6-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(ethylsulfanyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(E)-6-((1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C21H20ClN5OS2 |
|---|---|
| Molecular Weight | 457.07977 g/mol |
| LogP | 5.38573 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.07977 |
| Monoisotopic Mass | 457.07977 |
| Heavy Atoms | 30 |
| Complexity | 1178.2997 |
Chemical Identifiers
| CAS Number | 877809-15-9 |
|---|---|
| SMILES | CCSC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC(=C(C=C4)C)Cl)C)/C(=O)N=C2S1 |
Product Overview
AC1NYWEY (CAS 877809-15-9), with molecular formula C21H20ClN5OS2 and molecular weight 457.07977 g/mol. IUPAC: (6E)-6-[[1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-ethylsulfanyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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