SMILES:
COc1sc(C(=O)NC(Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)cc1-c1c(Cl)cnn1CMolecular Processing
Molecular formula
C28H22ClF3N4O4S
Molecular weight
603.02
Exact mass
602.1002
XLogP
5.47
TPSA
93.53
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
146.29
Supplementary Information
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