Name: 3-(benzene-sulfonyl)-7-methyl-2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridyl]-1,7-diazaspiro[4.4]nonan-6-one
SMILES:
Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(C2NC3(CCN(C)C3=O)CC2S(=O)(=O)c2ccccc2)n1Molecular Processing
Molecular formula
C27H26F3N3O3S
Molecular weight
529.58
Exact mass
529.1647
XLogP
4.55
TPSA
79.37
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
132.31
Supplementary Information
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