(S)-1-[4-(6-fluoro-benzo[d]isoxazol-3-yl)-phenoxy]-3-[4-(4-fluoro-phenoxy)-piperidin-1-yl]-propan-2-ol

HCID 9869771
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Basic information

Standard SMILES
O[C@H](COc1ccc(-c2noc3cc(F)ccc23)cc1)CN1CCC(Oc2ccc(F)cc2)CC1
InChIKey
XJNRQAORENAYKS-NRFANRHFSA-N
Molecular formula
C27H26F2N2O4
Average molar mass
480.5 g/mol
Monoisotopic mass
480.18606364

Names & identifiers

Preferred name
(S)-1-[4-(6-fluoro-benzo[d]isoxazol-3-yl)-phenoxy]-3-[4-(4-fluoro-phenoxy)-piperidin-1-yl]-propan-2-ol
IUPAC
(2S)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)phenoxy]-3-[4-(4-fluorophenoxy)piperidin-1-yl]propan-2-ol

Names & synonyms

SCHEMBL5368959XJNRQAORENAYKS-NRFANRHFSA-N(S)-1-[4-(6-fluoro-benzo[d]isoxazol-3-yl)-phenoxy]-3-[4-(4-fluoro-phenoxy)-piperidin-1-yl]-propan-2-ol

Database identifiers

PubChem CID
9869771

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
68 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
35

Related reactions

1 records
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Compound notes

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