SMILES:
N#CC1CNCCN1Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1Molecular Processing
Molecular formula
C24H26N6O
Molecular weight
414.51
Exact mass
414.2168
XLogP
2.8
TPSA
97.1
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
120.45
Supplementary Information
Récupération des détails…
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