AC1NKPKS
[4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(1-ethyl-4-nitropyrazol-3-yl)methanone
Also Known As: (1-ethyl-4-nitro-1H-pyrazol-3-yl)(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone|(1-ethyl-4-nitro-1H-pyrazol-3-yl)[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]methanone|[4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(1-ethyl-4-nitropyrazol-3-yl)methanone
| Molecular Formula | C22H28N4O5 |
|---|---|
| Molecular Weight | 428.20596 g/mol |
| LogP | 3.3283 |
| Topological Polar Surface Area | 110.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.20596 |
| Monoisotopic Mass | 428.20596 |
| Heavy Atoms | 31 |
| Complexity | 990.03094 |
Chemical Identifiers
| CAS Number | 1212349-91-1 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C(=O)N2CCC3(CCCCC3C2C4=CC=CC=C4OC)O)[N+](=O)[O-] |
Product Overview
AC1NKPKS (CAS 1212349-91-1), with molecular formula C22H28N4O5 and molecular weight 428.20596 g/mol. IUPAC: [4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(1-ethyl-4-nitropyrazol-3-yl)methanone.
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