SMILES:
NC1CC(CO)N(C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(Cl)cc4C(F)(F)F)c3)S2)C1Molecular Processing
Molecular formula
C24H21ClF3N5O2S
Molecular weight
535.98
Exact mass
535.1057
XLogP
4.12
TPSA
96.74
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
133.47
Supplementary Information
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