SMILES:
CNC1CCN(c2cnc(C(=O)Nc3cc(CCc4cc(OC)cc(OC)c4)n[nH]3)cn2)C1Molecular Processing
Molecular formula
C23H29N7O3
Molecular weight
451.53
Exact mass
451.2332
XLogP
2.05
TPSA
117.29
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
125.2
Supplementary Information
Details werden geladen…
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