COc1cc(-c2nnc3n2CCCC3(Oc2cc(F)c(F)c(F)c2)C(C)(C)O)ccc1-c1cnc(C)o1
SMILES: COc1cc(-c2nnc3n2CCCC3(Oc2cc(F)c(F)c(F)c2)C(C)(C)O)ccc1-c1cnc(C)o1

Molecular Processing

Molecular formula
C26H25F3N4O4
Molecular weight
514.5
Exact mass
514.1828
XLogP
5.17
TPSA
95.43
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
37
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
0.346
Molar refractivity
126.4

Supplementary Information

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