SMILES:
CCc1cncc(Nc2cc(COc3ccc(N)c4ccccc34)ccn2)n1Molecular Processing
Molecular formula
C22H21N5O
Molecular weight
371.44
Exact mass
371.1746
XLogP
4.49
TPSA
85.95
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
111.62
Supplementary Information
Details werden geladen…
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