(S)-1-(6-Methyl-pyridin-3-yloxy)-3-(-(Z)-(1S,6S)-9-naphthalen-2-yl-7,9-diaza-bicyclo[4.2.2]dec-3-en-7-yl)-propan-2-ol

HCID 59686804
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Basic information

Standard SMILES
Cc1ccc(OC[C@@H](O)CN2C[C@@H]3C/C=C\C[C@H]2CN3c2ccc3ccccc3c2)cn1
InChIKey
UHSVSKWLRNSJTK-UPXNXLIXSA-N
Molecular formula
C27H31N3O2
Average molar mass
429.6 g/mol

Names & identifiers

Preferred name
(S)-1-(6-Methyl-pyridin-3-yloxy)-3-(-(Z)-(1S,6S)-9-naphthalen-2-yl-7,9-diaza-bicyclo[4.2.2]dec-3-en-7-yl)-propan-2-ol
IUPAC
(2S)-1-[(6-methyl-3-pyridinyl)oxy]-3-[(1S,3Z,6S)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol

Names & synonyms

SCHEMBL4899985UHSVSKWLRNSJTK-UPXNXLIXSA-N(S)-1-(6-Methyl-pyridin-3-yloxy)-3-(-(Z)-(1S,6S)-9-naphthalen-2-yl-7,9-diaza-bicyclo[4.2.2]dec-3-en-7-yl)-propan-2-ol

Database identifiers

PubChem CID
59686804

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
48.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
32

Related reactions

1 records
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Compound notes

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