COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3nc(CN4CCN(C)CC4)c[nH]3)c3nccnc23)c1F
名称: title compound
SMILES: COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3nc(CN4CCN(C)CC4)c[nH]3)c3nccnc23)c1F

Molecular Processing

Molecular formula
C26H27ClFN7O3
Molecular weight
540
Exact mass
539.1848
XLogP
3.83
TPSA
108.5
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
142.36

Supplementary Information

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