CS(=O)(=O)c1ccc(N[C@H]2CCN(C3CCN(c4ncc(-c5cn[nH]c5)cn4)CC3)C2=O)c(F)c1
SMILES: CS(=O)(=O)c1ccc(N[C@H]2CCN(C3CCN(c4ncc(-c5cn[nH]c5)cn4)CC3)C2=O)c(F)c1

Molecular Processing

Molecular formula
C23H26FN7O3S
Molecular weight
499.57
Exact mass
499.1802
XLogP
2.09
TPSA
124.18
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
128.1

Supplementary Information

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