AC1NOD3F
1-[2-(4-fluorophenyl)ethyl]-4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: AE-641/30117024|1-[2-(4-fluorophenyl)ethyl]-4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine|1-[3-Fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo[b,f]thiepin-10-yl]-4-[2-(4-fluorophenyl)ethyl]piperazine|1-(3-fluoro-8-isopropyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-[2-(4-fluorophenyl)ethyl]piperazine
| Molecular Formula | C29H32F2N2S |
|---|---|
| Molecular Weight | 478.22543 g/mol |
| LogP | 6.6969 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.22543 |
| Monoisotopic Mass | 478.22543 |
| Heavy Atoms | 34 |
| Complexity | 1137.3676 |
Chemical Identifiers
| CAS Number | 70931-34-9 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)CCC5=CC=C(C=C5)F)C=CC(=C3)F |
Product Overview
AC1NOD3F (CAS 70931-34-9), with molecular formula C29H32F2N2S and molecular weight 478.22543 g/mol. IUPAC: 1-[2-(4-fluorophenyl)ethyl]-4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.
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