SMILES:
C=CCOc1cccc(Cl)c1C1CC(c2csc(C3CCN(C(=O)Cn4nc(C(F)F)cc4C(F)F)CC3)n2)=NO1Molecular Processing
Molecular formula
C27H26ClF4N5O3S
Molecular weight
612.05
Exact mass
611.1381
XLogP
6.7
TPSA
81.84
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
144.93
Supplementary Information
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