6-{2-{[4-(2-Azepan-1-ylethoxy)-3-fluorobenzyl]isopropylamino}-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol

HCID 57934337

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(C2CCc3cc(O)ccc3C2)c(N(Cc2ccc(OCCN3CCCCCC3)c(F)c2)C(C)C)c1
InChIKey: ANFMJGYWXAVAKO-UHFFFAOYSA-N
Molecular formula: C35H45FN2O3
Average molar mass: 560.7 g/mol

Names & identifiers

Preferred name: 6-{2-{[4-(2-Azepan-1-ylethoxy)-3-fluorobenzyl]isopropylamino}-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol
IUPAC: 6-[2-[[4-[2-(azepan-1-yl)ethoxy]-3-fluorophenyl]methyl-propan-2-ylamino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

Names & synonyms

SCHEMBL226230ANFMJGYWXAVAKO-UHFFFAOYSA-N6-{2-{[4-(2-Azepan-1-ylethoxy)-3-fluorobenzyl]isopropylamino}-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol

Database identifiers

PubChem CID: 57934337

Properties

Computed structural properties

XLogP: 7.9
Topological polar surface area: 45.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 41
Formal charge: 0
Complexity: 762

Related reactions

3 records

New reaction record

HRID 1434176As productuspto-grants-2009_11

HRID 1950363As productuspto-grants-2013_03

HRID 2423933As productuspto-grants-2011_06

Compound notes

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