الاسم: 4-[(S)-3-(2-Chloro-4-fluoro-benzenesulfonyl)-pyrrolidin-1-yl]-2-methylsulfanyl-6-trifluoromethyl-pyrimidine
SMILES:
CSc1nc(N2CC[C@H](S(=O)(=O)c3ccc(F)cc3Cl)C2)cc(C(F)(F)F)n1Molecular Processing
Molecular formula
C16H14ClF4N3O2S2
Molecular weight
455.89
Exact mass
455.0152
XLogP
4.06
TPSA
63.16
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
98.03
Supplementary Information
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