1-Benzo[b]thiophen-3-yl-3-(9-naphthalen-2-yl-7,9-diaza-bicyclo[4.2.2]dec-3-en-7-yl)-propan-1-one

HCID 69233296
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Basic information

Standard SMILES
O=C(CCN1CC2CC=CCC1CN2c1ccc2ccccc2c1)c1csc2ccccc12
InChIKey
ZBVDSIQQWIZVKE-UHFFFAOYSA-N
Molecular formula
C29H28N2OS
Average molar mass
452.6 g/mol

Names & identifiers

Preferred name
1-Benzo[b]thiophen-3-yl-3-(9-naphthalen-2-yl-7,9-diaza-bicyclo[4.2.2]dec-3-en-7-yl)-propan-1-one
IUPAC
1-(1-benzothiophen-3-yl)-3-(9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl)propan-1-one

Names & synonyms

SCHEMBL4897562ZBVDSIQQWIZVKE-UHFFFAOYSA-N1-Benzo[b]thiophen-3-yl-3-(9-naphthalen-2-yl-7,9-diaza-bicyclo[4.2.2]dec-3-en-7-yl)-propan-1-one

Database identifiers

PubChem CID
69233296

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
51.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
33

Related reactions

4 records
New reaction record

Compound notes

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