CC(C)NCCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C(N)=O)CC1
SMILES: CC(C)NCCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C(N)=O)CC1

Molecular Processing

Molecular formula
C25H30F4N8O
Molecular weight
534.56
Exact mass
534.2479
XLogP
3.56
TPSA
127.98
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
134.91

Supplementary Information

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