SMILES:
FC1(c2nccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CCOCC1Molecular Processing
Molecular formula
C22H19FN4O2S
Molecular weight
422.49
Exact mass
422.1213
XLogP
5.6
TPSA
69.16
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
114.29
Supplementary Information
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