SMILES:
N[C@H](CNc1ncc(-c2ccc3cnncc3c2)s1)Cc1ccc(C(F)(F)F)cc1Molecular Processing
Molecular formula
C21H18F3N5S
Molecular weight
429.47
Exact mass
429.1235
XLogP
4.75
TPSA
76.72
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
112.26
Supplementary Information
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