SMILES:
C[C@H](NC1=NC(=O)C(C)(c2ccc(C(=O)N3CCCC3)cc2)S1)c1ccc(F)cc1Molecular Processing
Molecular formula
C23H24FN3O2S
Molecular weight
425.53
Exact mass
425.1573
XLogP
4.26
TPSA
61.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
116.92
Supplementary Information
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