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Chemical structure of trans-R-138727

GC72941

trans-R-138727

Also known as (2Z)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]acetic acid

Trans-R-138727 is the trans isomer of R-138727

ChemicalCAS239466-74-1MW349.42FormulaC18H20FNO3S
CAS number
239466-74-1
Molecular weight
349.42
Formula
C18H20FNO3S
InChIKey
ZWUQVNSJSJHFPS-XFXZXTDPSA-N
Catalogue number
GC72941
Brand
GLPBIO
Computed properties PubChem CID 10405534 · XLogP -0.3 · TPSA 58.6 Ų · H-bond donors 2
XLogP
-0.3
TPSA
58.6 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
24

SMILES C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C(=O)O)/C3)S

Computed descriptors from PubChem (CID 10405534), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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