(S)-N-Benzyl-1(4-benzyloxyphenoxy)-3-[N-2-(4-hydroxyphenyl)ethylamino]propan-2-ol

HCID 22883068
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Basic information

Standard SMILES
Oc1ccc(CCN(Cc2ccccc2)C[C@H](O)COc2ccc(OCc3ccccc3)cc2)cc1
InChIKey
FAXXRHQTLKYSSA-LJAQVGFWSA-N
Molecular formula
C31H33NO4
Average molar mass
483.6 g/mol
Monoisotopic mass
483.24095853

Names & identifiers

Preferred name
(S)-N-Benzyl-1(4-benzyloxyphenoxy)-3-[N-2-(4-hydroxyphenyl)ethylamino]propan-2-ol
IUPAC
4-[2-[benzyl-[(2S)-2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]amino]ethyl]phenol

Names & synonyms

SCHEMBL8758147FAXXRHQTLKYSSA-LJAQVGFWSA-N(S)-N-Benzyl-1(4-benzyloxyphenoxy)-3-[N-2-(4-hydroxyphenyl)ethylamino]propan-2-ol

Database identifiers

PubChem CID
22883068

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
62.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
13
Heavy atoms
36

Related reactions

1 records
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Linked notes

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