AC1NPIG4
6-[[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: 6-{[1-(3-Chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|6-[[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C24H19ClN6OS |
|---|---|
| Molecular Weight | 474.10297 g/mol |
| LogP | 5.11843 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 474.10297 |
| Monoisotopic Mass | 474.10297 |
| Heavy Atoms | 33 |
| Complexity | 1420.2062 |
Chemical Identifiers
| CAS Number | 5276-79-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C(=CC=C2)Cl)C)C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5 |
Product Overview
AC1NPIG4 (CAS 5276-79-9), with molecular formula C24H19ClN6OS and molecular weight 474.10297 g/mol. IUPAC: 6-[[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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