COc1sc(C(=O)NC(Cc2ccc(F)cc2)CN2C(=O)c3ccccc3C2=O)cc1-c1c(Cl)cnn1C
SMILES: COc1sc(C(=O)NC(Cc2ccc(F)cc2)CN2C(=O)c3ccccc3C2=O)cc1-c1c(Cl)cnn1C

Molecular Processing

Molecular formula
C27H22ClFN4O4S
Molecular weight
553.02
Exact mass
552.1034
XLogP
4.59
TPSA
93.53
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.185
Molar refractivity
141.25

Supplementary Information

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