AC1LLJHI
methyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_393860|Oprea1_661021|BAS 00924115|AK-968/12119914|SR-01000550993-1|methyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-(2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 2-{[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|METHYL 2-{[2-(4-CHLORO-5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)ACETYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C16H17ClN4O5S |
|---|---|
| Molecular Weight | 412.06082 g/mol |
| LogP | 3.11872 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.06082 |
| Monoisotopic Mass | 412.06082 |
| Heavy Atoms | 27 |
| Complexity | 935.87604 |
Chemical Identifiers
| CAS Number | 355804-99-8 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)[N+](=O)[O-])Cl |
Product Overview
AC1LLJHI (CAS 355804-99-8), with molecular formula C16H17ClN4O5S and molecular weight 412.06082 g/mol. IUPAC: methyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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