Название: Intermediate 53a
SMILES:
CC(C)(C)c1cc(N)n(-c2ccc(Cl)c(OCCOC3CCCCO3)c2)n1Molecular Processing
Molecular formula
C20H28ClN3O3
Molecular weight
393.92
Exact mass
393.1819
XLogP
4.33
TPSA
71.53
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
106.72
Supplementary Information
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