COc1ccc(Cl)c(Oc2c(C)nc(N3CCOCC3)nc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1
SMILES: COc1ccc(Cl)c(Oc2c(C)nc(N3CCOCC3)nc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

Molecular Processing

Molecular formula
C26H31ClN4O5S
Molecular weight
547.08
Exact mass
546.1704
XLogP
5.17
TPSA
102.88
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
143.83

Supplementary Information

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