O=C(NC12CCC(CC1)Cn1c2nc(-c2ncc(Cc3ccc(F)cc3)s2)c(OCc2ccccc2)c1=O)OCc1ccccc1
SMILES: O=C(NC12CCC(CC1)Cn1c2nc(-c2ncc(Cc3ccc(F)cc3)s2)c(OCc2ccccc2)c1=O)OCc1ccccc1

Molecular Processing

Molecular formula
C36H33FN4O4S
Molecular weight
636.75
Exact mass
636.2207
XLogP
7
TPSA
95.34
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
46
Rings
8
Aromatic rings
5
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
172.98

Supplementary Information

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