Name: (S)-2-(3-(2-chloro-4-fluorophenylsulfonyl)pyrrolidin-1-yl)pyrimidine-4-carbonitrile
SMILES:
N#Cc1ccnc(N2CC[C@H](S(=O)(=O)c3ccc(F)cc3Cl)C2)n1Molecular Processing
Molecular formula
C15H12ClFN4O2S
Molecular weight
366.81
Exact mass
366.0354
XLogP
2.19
TPSA
86.95
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
85.96
Supplementary Information
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