COC(=O)[C@@H]1CSCCCCOc2ccc(cc2)C[C@H](NS(=O)(=O)c2ccc(F)cc2)C(=O)N[C@@H](C(C)C)C(=O)N1
Name: Ester
SMILES: COC(=O)[C@@H]1CSCCCCOc2ccc(cc2)C[C@H](NS(=O)(=O)c2ccc(F)cc2)C(=O)N[C@@H](C(C)C)C(=O)N1

Molecular Processing

Molecular formula
C28H36FN3O7S2
Molecular weight
609.74
Exact mass
609.1979
XLogP
2.42
TPSA
139.9
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
41
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.464
Molar refractivity
153.42

Supplementary Information

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