이름: 4-({(1S*,2R*)-5,5-difluoro-2-[1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]cyclohexyl}oxy)-N-(2,4-dimethoxybenzyl)-2-fluoro-5-methyl-N-(pyrimidin-4-yl)benzenesulfonamide
SMILES:
COc1ccc(CN(c2ccncn2)S(=O)(=O)c2cc(C)c(O[C@H]3CC(F)(F)CC[C@@H]3c3cnn(C4CCCCO4)c3)cc2F)c(OC)c1Molecular Processing
Molecular formula
C34H38F3N5O6S
Molecular weight
701.77
Exact mass
701.2495
XLogP
6.58
TPSA
117.9
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
49
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.441
Molar refractivity
173.11
Supplementary Information
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