SMILES:
CCn1nc(-c2cccc(Cl)c2)c(C(C)=O)c(Nc2cccc3cccnc23)c1=OMolecular Processing
Molecular formula
C23H19ClN4O2
Molecular weight
418.88
Exact mass
418.1197
XLogP
5.08
TPSA
76.88
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.13
Molar refractivity
119.65
Supplementary Information
Récupération des détails…
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