SMILES:
O=C(CN1CCN(Cc2ccccc2)CC1)Nc1nc(=O)c2cnn3c2n1CC=C3c1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C28H26F3N7O2
Molecular weight
549.56
Exact mass
549.21
XLogP
3.27
TPSA
88.29
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
40
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
143.4
Supplementary Information
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