AC1MFIDC
ethyl 6-methyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_012444|HMS622F14|BAS 00924221|AK-968/37129092|SR-01000551053-1|ethyl 6-methyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|6-Methyl-2-[2-(3-nitro-[1,2,4]triazol-1-yl)-acetylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester|ethyl 2-[({3-nitro-1H-1,2,4-triazol-1-yl}acetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 6-methyl-2-(2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ETHYL 6-METHYL-2-[2-(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)ACETAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|ethyl 6-methyl-2-{[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C16H19N5O5S |
|---|---|
| Molecular Weight | 393.1107 g/mol |
| LogP | 2.188 |
| Topological Polar Surface Area | 129.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.1107 |
| Monoisotopic Mass | 393.1107 |
| Heavy Atoms | 27 |
| Complexity | 889.8932 |
Chemical Identifiers
| CAS Number | 313248-76-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C=NC(=N3)[N+](=O)[O-] |
Product Overview
AC1MFIDC (CAS 313248-76-9), with molecular formula C16H19N5O5S and molecular weight 393.1107 g/mol. IUPAC: ethyl 6-methyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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