SMILES:
Cc1ccc2nc(N3CCS(=O)c4ccccc4C3)nc(NCC(F)(F)CN)c2c1Molecular Processing
Molecular formula
C21H23F2N5OS
Molecular weight
431.51
Exact mass
431.1591
XLogP
3.07
TPSA
84.14
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
115.53
Supplementary Information
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