SMILES:
COc1ccc(Cl)cc1S(=O)(=O)N1CC(NC(=O)C2CC2)C(=O)N2C(Cc3ccc(Cl)cc3)C(=O)N(C(C)C)CC21Molecular Processing
Molecular formula
C28H32Cl2N4O6S
Molecular weight
623.56
Exact mass
622.142
XLogP
2.92
TPSA
116.33
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
41
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.464
Molar refractivity
152.98
Supplementary Information
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