CN(CC(O)c1ccc(O)cc1)C1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1
SMILES: CN(CC(O)c1ccc(O)cc1)C1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)S1

Molecular Processing

Molecular formula
C28H22ClF3N4O3S
Molecular weight
587.02
Exact mass
586.1053
XLogP
6.1
TPSA
90.95
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.179
Molar refractivity
149

Supplementary Information

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