O=C(COc1ccc(C2C(SCC(=O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1)NCC(=O)NC(C(=O)O)C1CCCCC1
SMILES: O=C(COc1ccc(C2C(SCC(=O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1)NCC(=O)NC(C(=O)O)C1CCCCC1

Molecular Processing

Molecular formula
C35H35F2N3O7S
Molecular weight
679.74
Exact mass
679.2164
XLogP
4.68
TPSA
142.11
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
14
Heavy atoms
48
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.343
Molar refractivity
174.69

Supplementary Information

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