SMILES:
COC(=O)C(Cc1ccc(-c2ccc(C#N)cc2)cc1)NC(=O)C1Cc2cc3c(cc2CN1S(=O)(=O)c1ccc(-c2csc(NC(C)=O)n2)cc1)OC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CO3Molecular Processing
Molecular formula
C53H43Cl2N5O9S2
Molecular weight
1028.99
Exact mass
1027.1879
XLogP
9.72
TPSA
186.25
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
14
Heavy atoms
71
Rings
9
Aromatic rings
7
Saturated rings
0
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.189
Molar refractivity
268.86
Supplementary Information
Obteniendo detalles…
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