الاسم: 1-benzyl-2′-(4-methoxybenzyl)-2′H-spiro[piperidine-4,5′-pyrano[3,2-c]pyrazol]-7′(6′H)-one
SMILES:
COc1ccc(Cn2cc3c(n2)C(=O)CC2(CCN(Cc4ccccc4)CC2)O3)cc1Molecular Processing
Molecular formula
C25H27N3O3
Molecular weight
417.51
Exact mass
417.2052
XLogP
3.94
TPSA
56.59
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
117.58
Supplementary Information
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