6-{2-[6-(2-Azepan-1-ylethoxy)pyridin-3-ylamino]-4-hydroxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol

HCID 57934331
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Basic information

Standard SMILES
Oc1ccc2c(c1)CCC(c1ccc(O)cc1Nc1ccc(OCCN3CCCCCC3)nc1)C2
InChIKey
YXAJPRIJHVNCEE-UHFFFAOYSA-N
Molecular formula
C29H35N3O3
Average molar mass
473.6 g/mol
Monoisotopic mass
473.26784199

Names & identifiers

Preferred name
6-{2-[6-(2-Azepan-1-ylethoxy)pyridin-3-ylamino]-4-hydroxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol
IUPAC
6-[2-[[6-[2-(azepan-1-yl)ethoxy]-3-pyridinyl]amino]-4-hydroxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

Names & synonyms

SCHEMBL224033YXAJPRIJHVNCEE-UHFFFAOYSA-N6-{2-[6-(2-Azepan-1-ylethoxy)pyridin-3-ylamino]-4-hydroxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol

Database identifiers

PubChem CID
57934331

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
77.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
35

Related reactions

3 records
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Compound notes

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