CSc1ccc(C(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)C(C)N)cc1
SMILES: CSc1ccc(C(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)C(C)N)cc1

Molecular Processing

Molecular formula
C23H22FN3OS
Molecular weight
407.51
Exact mass
407.1468
XLogP
5.35
TPSA
53.07
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
116.27

Supplementary Information

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