AC1MQTH2
1-[1'-(4-nitrophenyl)spiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-yl]ethanone
Also Known As: Bionet1_002128|HMS574G10|KS-00003EE6|8H-913|3-Acetyl-4,5-bis(hydroxymethyl)-4,5-dihydroisoxazole-N-(4-nitophenyl)piperid-4-one acetal|1-[1'-(4-nitrophenyl)spiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-yl]ethanone|1-(1-(4-Nitrophenyl)-3a',4',8',8a'-tetrahydrospiro[piperidine-4,6'-[1,3]dioxepino[5,6-d]isoxazol]-3'-yl)ethan-1-one|1-[1'-(4-nitrophenyl)-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-yl]ethan-1-one
| Molecular Formula | C18H21N3O6 |
|---|---|
| Molecular Weight | 375.14304 g/mol |
| LogP | 1.8981 |
| Topological Polar Surface Area | 103.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.14304 |
| Monoisotopic Mass | 375.14304 |
| Heavy Atoms | 27 |
| Complexity | 769.8066 |
Chemical Identifiers
| CAS Number | 339098-72-5 |
|---|---|
| SMILES | CC(=O)C1=NOC2C1COC3(CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])OC2 |
Product Overview
AC1MQTH2 (CAS 339098-72-5), with molecular formula C18H21N3O6 and molecular weight 375.14304 g/mol. IUPAC: 1-[1'-(4-nitrophenyl)spiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-yl]ethanone.
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