CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(c4cc(C)sc4C)C3)cc21
SMILES: CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(c4cc(C)sc4C)C3)cc21

Molecular Processing

Molecular formula
C22H24FN3O3S
Molecular weight
429.52
Exact mass
429.1522
XLogP
3.69
TPSA
74.57
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
117.55

Supplementary Information

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