이름: 4-({(1R,2S)-5,5-difluoro-2-[1-(4-methoxybenzyl)-1H-pyrazol-4-yl]cyclohexyl}oxy)-N-(2,4-dimethoxybenzyl)-2-fluoro-5-methyl-N-(pyrimidin-4-yl)benzenesulfonamide
SMILES:
COc1ccc(Cn2cc([C@@H]3CCC(F)(F)C[C@H]3Oc3cc(F)c(S(=O)(=O)N(Cc4ccc(OC)cc4OC)c4ccncn4)cc3C)cn2)cc1Molecular Processing
Molecular formula
C37H38F3N5O6S
Molecular weight
737.8
Exact mass
737.2495
XLogP
6.94
TPSA
117.9
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
52
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.324
Molar refractivity
186.36
Supplementary Information
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