Название: title compound
SMILES:
CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCN(C(=O)C4CC4)CC2)n3-c2ccc(Cl)nc2)CC1Molecular Processing
Molecular formula
C30H35ClN6O3
Molecular weight
563.1
Exact mass
562.2459
XLogP
3.54
TPSA
81.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
40
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
153.9
Supplementary Information
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