AC1MFR68
N-(1,1-dioxothiolan-3-yl)-2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: N-(1,1-dioxidotetrahydro-3-thienyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide|N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(2-(2-nitrophenoxy)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide|N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide|N-(1,1-dioxothiolan-3-yl)-2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C21H23N3O7S2 |
|---|---|
| Molecular Weight | 493.09775 g/mol |
| LogP | 2.4695 |
| Topological Polar Surface Area | 144.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.09775 |
| Monoisotopic Mass | 493.09775 |
| Heavy Atoms | 33 |
| Complexity | 1206.4357 |
Chemical Identifiers
| CAS Number | 690668-04-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-])C(=O)NC4CCS(=O)(=O)C4 |
Product Overview
AC1MFR68 (CAS 690668-04-3), with molecular formula C21H23N3O7S2 and molecular weight 493.09775 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
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