SMILES:
CN(Cc1ccccc1)Cc1c(-c2ccc(N)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1FMolecular Processing
Molecular formula
C34H28F2N4O2S
Molecular weight
594.69
Exact mass
594.1901
XLogP
6.42
TPSA
73.26
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
43
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
168.6
Supplementary Information
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