C[C@@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3C=O)cn(C)c2=O)nc1
名称: 106b
SMILES: C[C@@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3C=O)cn(C)c2=O)nc1

Molecular Processing

Molecular formula
C37H39FN8O4
Molecular weight
678.77
Exact mass
678.3078
XLogP
4.44
TPSA
127.48
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
50
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.351
Molar refractivity
190.37

Supplementary Information

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