TAK-802 structure

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

CAS: 263248-16-4
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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