CC(C)(C)OC(=O)N1CCC(C)(c2nc(-c3cccc(NS(=O)(=O)c4ccoc4)c3F)c(-c3ccnc(Cl)n3)s2)CC1
SMILES: CC(C)(C)OC(=O)N1CCC(C)(c2nc(-c3cccc(NS(=O)(=O)c4ccoc4)c3F)c(-c3ccnc(Cl)n3)s2)CC1

Molecular Processing

Molecular formula
C28H29ClFN5O5S2
Molecular weight
634.15
Exact mass
633.1283
XLogP
6.74
TPSA
127.52
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
42
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
157.45

Supplementary Information

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