AC1N3SS5
3,4-dimethoxy-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: Oprea1_298975|F0778-0231|SR-01000445193-1|3,4-dimethoxy-N-(2-(4-nitrophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide|3,4-dimethoxy-N-[2-(4-nitrophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]benzamide|3,4-dimethoxy-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide|N-[3-(p-nitrophenyl)-7-thia-2,3-diazabicyclo[3.3.0]octa-1,4-dien-4-yl]veratramide|3,4-dimethoxy-N-[7-(4-nitrophenyl)-3-thia-6,7-diazabicyclo[3.3.0]octa-5,8-dien-8-yl]benzamide
| Molecular Formula | C20H18N4O5S |
|---|---|
| Molecular Weight | 426.0998 g/mol |
| LogP | 3.7968 |
| Topological Polar Surface Area | 108.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.0998 |
| Monoisotopic Mass | 426.0998 |
| Heavy Atoms | 30 |
| Complexity | 1126.9707 |
Chemical Identifiers
| CAS Number | 396722-18-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC2=C3CSCC3=NN2C4=CC=C(C=C4)[N+](=O)[O-])OC |
Product Overview
AC1N3SS5 (CAS 396722-18-2), with molecular formula C20H18N4O5S and molecular weight 426.0998 g/mol. IUPAC: 3,4-dimethoxy-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
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