COC(=O)C1CC(N(C)C(C)C)CCC1N1CCC(Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O
SMILES: COC(=O)C1CC(N(C)C(C)C)CCC1N1CCC(Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O

Molecular Processing

Molecular formula
C25H32F3N5O3
Molecular weight
507.56
Exact mass
507.2457
XLogP
3.71
TPSA
87.66
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
128.11

Supplementary Information

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