CCOCCNC(=O)c1cc2nc(Nc3nc4ccc(OC(F)(F)F)cc4s3)n(C)c2cc1F
SMILES: CCOCCNC(=O)c1cc2nc(Nc3nc4ccc(OC(F)(F)F)cc4s3)n(C)c2cc1F

Molecular Processing

Molecular formula
C21H19F4N5O3S
Molecular weight
497.47
Exact mass
497.1145
XLogP
4.73
TPSA
90.3
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
119.08

Supplementary Information

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