AC1NQHXI
propan-2-yl 2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: SR-01000535860-1|A2682/0114296|Propan-2-yl 2-[2-(2-nitrophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|propan-2-yl 2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|PROPAN-2-YL 2-[[2-(2-NITROPHENOXY)ACETYL]AMINO]-4,5,6,7-TETRAHYDROBENZOTHIOPHENE-3-CARBOXYLATE|propan-2-yl 2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H22N2O6S |
|---|---|
| Molecular Weight | 418.11984 g/mol |
| LogP | 4.1178 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.11984 |
| Monoisotopic Mass | 418.11984 |
| Heavy Atoms | 29 |
| Complexity | 937.0478 |
Chemical Identifiers
| CAS Number | 5807-45-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
AC1NQHXI (CAS 5807-45-4), with molecular formula C20H22N2O6S and molecular weight 418.11984 g/mol. IUPAC: propan-2-yl 2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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