SMILES:
C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cc(Cl)c[nH]c4=O)c32)CC1Molecular Processing
Molecular formula
C28H32ClN7O4
Molecular weight
566.06
Exact mass
565.2204
XLogP
4.37
TPSA
134.93
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
40
Rings
7
Aromatic rings
4
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
150.56
Supplementary Information
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