AC1NB50Q
4-methyl-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: Oprea1_498083|SR-01000570304-1|F0541-0612|4-methyl-N-(2-(4-nitrophenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide|4-methyl-N-[2-(4-nitrophenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]benzamide|4-methyl-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide|4-methyl-N-[2-(4-nitrophenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]benzamide
| Molecular Formula | C19H16N4O5S |
|---|---|
| Molecular Weight | 412.08414 g/mol |
| LogP | 2.76962 |
| Topological Polar Surface Area | 124.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.08414 |
| Monoisotopic Mass | 412.08414 |
| Heavy Atoms | 29 |
| Complexity | 1228.8539 |
Chemical Identifiers
| CAS Number | 449792-68-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
AC1NB50Q (CAS 449792-68-1), with molecular formula C19H16N4O5S and molecular weight 412.08414 g/mol. IUPAC: 4-methyl-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
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