TAK-802
6-[3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanoyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
Also Known As: TAK-802|J2.121.873A|8-[3-[1-[(3-fluorophenyl)methyl]-4-piperidinyl]-1-oxopropyl]-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-4-one|8-(3-(1-(3-Fluorobenzyl)piperidin-4-yl)propanoyl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one|6-(3-{1-[(3-fluorophenyl)methyl]piperidin-4-yl}propanoyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one|6-[3-[1-[(3-Fluorophenyl)methyl]piperidin-4-yl]propanoyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one|8-[1-Oxo-3-[1-(3-fluorobenzyl)-4-piperidinyl]propyl]-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-4-one|8-[3-[1-[(3-fluorophenyl)methyl]-4-piperidinyl]-1-oxopropyl]-1,2,5,6-tetrahydro-4h-pyrrolo-[3,2,1-ij]quinolin-4-one
| Molecular Formula | C26H29FN2O2 |
|---|---|
| Molecular Weight | 420.2213 g/mol |
| LogP | 4.5361 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.2213 |
| Monoisotopic Mass | 420.2213 |
| Heavy Atoms | 31 |
| Complexity | 1010.46173 |
Chemical Identifiers
| CAS Number | 263248-16-4 |
|---|---|
| SMILES | C1CN(CCC1CCC(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3)CC5=CC(=CC=C5)F |
Product Overview
TAK-802 (CAS 263248-16-4), with molecular formula C26H29FN2O2 and molecular weight 420.2213 g/mol. IUPAC: 6-[3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanoyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.
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