CC(Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12)C(=O)N(C)C
SMILES: CC(Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12)C(=O)N(C)C

Molecular Processing

Molecular formula
C27H25FN6O2
Molecular weight
484.54
Exact mass
484.2023
XLogP
4.77
TPSA
85.17
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.185
Molar refractivity
136.84

Supplementary Information

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