AC1OQSMH
(6E)-2-cyclopropyl-6-[[1-(3-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-2-cyclopropyl-6-((1-(3-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|(6E)-2-cyclopropyl-6-[[1-(3-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|3-{3-[(E)-(2-cyclopropyl-5-iminio-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenolate
| Molecular Formula | C21H19N5O2S |
|---|---|
| Molecular Weight | 405.12595 g/mol |
| LogP | 3.82891 |
| Topological Polar Surface Area | 94.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.12595 |
| Monoisotopic Mass | 405.12595 |
| Heavy Atoms | 29 |
| Complexity | 1169.7292 |
Chemical Identifiers
| CAS Number | 896599-41-0 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=CC=C2)O)C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C5CC5 |
Product Overview
AC1OQSMH (CAS 896599-41-0), with molecular formula C21H19N5O2S and molecular weight 405.12595 g/mol. IUPAC: (6E)-2-cyclopropyl-6-[[1-(3-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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