CCO[C@@H]1CN(c2nc(C(=O)NCCF)c(C(=O)O)s2)CC[C@@H]1NC(=O)c1nc(Cl)c(CC)[nH]1
SMILES: CCO[C@@H]1CN(c2nc(C(=O)NCCF)c(C(=O)O)s2)CC[C@@H]1NC(=O)c1nc(Cl)c(CC)[nH]1

Molecular Processing

Molecular formula
C20H26ClFN6O5S
Molecular weight
516.98
Exact mass
516.1358
XLogP
1.89
TPSA
149.54
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
123.86

Supplementary Information

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