CC(C)NC(=O)NS(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C
SMILES: CC(C)NC(=O)NS(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C

Molecular Processing

Molecular formula
C25H32ClFN4O5S
Molecular weight
555.07
Exact mass
554.1766
XLogP
3.38
TPSA
108.05
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
37
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
138.38

Supplementary Information

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