AC1LXWXY
(3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one
Also Known As: (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one|(3Z)-3-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one|(Z)-3-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-4-imino-8-(methylsulfonyl)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
| Molecular Formula | C24H19FN4O3S2 |
|---|---|
| Molecular Weight | 494.08826 g/mol |
| LogP | 4.50591 |
| Topological Polar Surface Area | 95.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 494.08826 |
| Monoisotopic Mass | 494.08826 |
| Heavy Atoms | 34 |
| Complexity | 1568.1222 |
Chemical Identifiers
| CAS Number | 896813-64-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=C\3/C(=N)N4C5=C(C=C(C=C5)S(=O)(=O)C)SC4=NC3=O |
Product Overview
AC1LXWXY (CAS 896813-64-2), with molecular formula C24H19FN4O3S2 and molecular weight 494.08826 g/mol. IUPAC: (3Z)-3-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-imino-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one.
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