SMILES:
Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(C(F)(F)F)nc3OC3CCOCC3)c12Molecular Processing
Molecular formula
C24H29F3N6O3S
Molecular weight
538.6
Exact mass
538.1974
XLogP
4.4
TPSA
101.5
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
134.65
Supplementary Information
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