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Chemical structure of PNU-282987 S enantiomer free base

GC36942

PNU-282987 S enantiomer free base

Also known as N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-chlorobenzamide

PNU-282987 S enantiomer free base is the S-enantiomer of PNU-282987 free base

ChemicalCAS737727-12-7MW264.75FormulaC14H17ClN2O
CAS number
737727-12-7
Molecular weight
264.75
Formula
C14H17ClN2O
Solubility
DMSO ： 100 mg/mL (377·71 mM; Need ultrasonic)
InChIKey
WECKJONDRAUFDD-CYBMUJFWSA-N
Catalogue number
GC36942
Brand
GLPBIO
Computed properties PubChem CID 14456380 · XLogP 2.4 · TPSA 32.3 Ų · H-bond donors 1
XLogP
2.4
TPSA
32.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18

SMILES C1CN2CCC1[C@@H](C2)NC(=O)C3=CC=C(C=C3)Cl

Computed descriptors from PubChem (CID 14456380), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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