1-{2-[4-((trans)-Octahydro-isoquinoline-2-carbonyl)-thiazol-2-yl]-phenyl}-ethanone

HCID 86613675
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Basic information

Standard SMILES
CC(=O)c1ccccc1-c1nc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cs1
InChIKey
WTFNPGWQOWHXJY-HOTGVXAUSA-N
Molecular formula
C21H24N2O2S
Average molar mass
368.5 g/mol

Names & identifiers

Preferred name
1-{2-[4-((trans)-Octahydro-isoquinoline-2-carbonyl)-thiazol-2-yl]-phenyl}-ethanone
IUPAC
1-[2-[4-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-1,3-thiazol-2-yl]phenyl]ethanone

Names & synonyms

WTFNPGWQOWHXJY-HOTGVXAUSA-N1-{2-[4-((trans)-Octahydro-isoquinoline-2-carbonyl)-thiazol-2-yl]-phenyl}-ethanone

Database identifiers

PubChem CID
86613675

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
78.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
26

Related reactions

1 records
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Compound notes

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