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Chemical structure of SMD-3040 intermediate-2

GC74113

SMD-3040 intermediate-2

Also known as tert-butyl 2-(3-chloro-4-cyanophenyl)-3-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate

SMD-3040 intermediate-2 is an intermediate in the synthesis of SMD-3040

ChemicalCAS2632308-00-8MW389.92FormulaC21H28ClN3O2
CAS number
2632308-00-8
Molecular weight
389.92
Formula
C21H28ClN3O2
InChIKey
WXLUHNJCOLNWIB-UHFFFAOYSA-N
Catalogue number
GC74113
Brand
GLPBIO
Computed properties PubChem CID 156180602 · XLogP 4.4 · TPSA 56.6 Ų · H-bond donors 0
XLogP
4.4
TPSA
56.6 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27

SMILES CC1CC2(CCN(CC2)C(=O)OC(C)(C)C)CN1C3=CC(=C(C=C3)C#N)Cl

Computed descriptors from PubChem (CID 156180602), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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