(S)-alpha-(2'-(3-(4-(4-chloro-3-fluorophenyl)piperidino)-2-hydroxypropyloxy)benzylidene)-gamma-butyrolactone

HCID 69901488
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Basic information

Standard SMILES
O=C1OCCC1=Cc1ccccc1OC[C@@H](O)CN1CCC(c2ccc(Cl)c(F)c2)CC1
InChIKey
BBAMKDLXHVFKGB-NRFANRHFSA-N
Molecular formula
C25H27ClFNO4
Average molar mass
459.9 g/mol

Names & identifiers

Preferred name
(S)-alpha-(2'-(3-(4-(4-chloro-3-fluorophenyl)piperidino)-2-hydroxypropyloxy)benzylidene)-gamma-butyrolactone
IUPAC
3-[[2-[(2S)-3-[4-(4-chloro-3-fluorophenyl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]methylidene]oxolan-2-one

Names & synonyms

BBAMKDLXHVFKGB-NRFANRHFSA-N(S)-alpha-(2'-(3-(4-(4-chloro-3-fluorophenyl)piperidino)-2-hydroxypropyloxy)benzylidene)-gamma-butyrolactone

Database identifiers

PubChem CID
69901488

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
59 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
32

Related reactions

1 records
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Compound notes

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