CC1(C)C(=O)NC(=O)N1CCNc1ncc(C(F)(F)F)c(-c2cc3cc([N+](=O)[O-])ccc3s2)n1
SMILES: CC1(C)C(=O)NC(=O)N1CCNc1ncc(C(F)(F)F)c(-c2cc3cc([N+](=O)[O-])ccc3s2)n1

Molecular Processing

Molecular formula
C20H17F3N6O4S
Molecular weight
494.46
Exact mass
494.0984
XLogP
4.03
TPSA
130.36
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
117.32

Supplementary Information

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