SMILES:
Fc1ccc2c(c1)Nc1sc3ccccc3c1C(N1CCNC(CCc3ccccc3)C1)=N2Molecular Processing
Molecular formula
C27H25FN4S
Molecular weight
456.59
Exact mass
456.1784
XLogP
6.08
TPSA
39.66
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
33
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
135.83
Supplementary Information
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