SMILES:
Cc1nc(-c2ccn(CCc3c[nH]c4ccccc34)n2)sc1C(=O)NCc1ccc(F)cc1Molecular Processing
Molecular formula
C25H22FN5OS
Molecular weight
459.55
Exact mass
459.1529
XLogP
5.11
TPSA
75.6
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
33
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
127.64
Supplementary Information
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