SMILES:
CC(C)CNc1ccc(S(=O)(=O)Oc2ccc3nc(NC(=O)CC4CCNCC4)sc3c2)cc1.ClMolecular Processing
Molecular formula
C24H31ClN4O4S2
Molecular weight
539.12
Exact mass
538.1475
XLogP
4.88
TPSA
109.42
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.417
Molar refractivity
143.29
Supplementary Information
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