SMILES:
COc1ccc(S(=O)(=O)[C@@H]2C[C@@H](C(=O)NC3(C#N)CC3)N(C(=O)C3(c4ccc(Cl)cn4)CN(C)C3)C2)c(Cl)c1Molecular Processing
Molecular formula
C26H27Cl2N5O5S
Molecular weight
592.51
Exact mass
591.111
XLogP
2.2
TPSA
132.7
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
39
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
143.24
Supplementary Information
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