AC1NYLNB
(6E)-6-[[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-((1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((m-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|(6E)-6-[[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-6-{[1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[(3-methylphenoxy)methyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C28H27N5O2S |
|---|---|
| Molecular Weight | 497.18854 g/mol |
| LogP | 5.71757 |
| Topological Polar Surface Area | 83.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.18854 |
| Monoisotopic Mass | 497.18854 |
| Heavy Atoms | 36 |
| Complexity | 1512.073 |
Chemical Identifiers
| CAS Number | 877798-79-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC2=NN3C(=N)/C(=C\C4=C(N(C(=C4)C)C5=C(C=C(C=C5)C)C)C)/C(=O)N=C3S2 |
Product Overview
AC1NYLNB (CAS 877798-79-3), with molecular formula C28H27N5O2S and molecular weight 497.18854 g/mol. IUPAC: (6E)-6-[[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-[(3-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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