SMILES:
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2)n1Molecular Processing
Molecular formula
C21H23FN6O2
Molecular weight
410.45
Exact mass
410.1867
XLogP
3.96
TPSA
85.17
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
110.04
Supplementary Information
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