SMILES:
Cc1nc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)sc1C(NS(=O)C(C)(C)C)c1ccccc1ClMolecular Processing
Molecular formula
C26H28ClN3O4S2
Molecular weight
546.11
Exact mass
545.121
XLogP
5.65
TPSA
89.55
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
143.28
Supplementary Information
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