SMILES:
CCN(CC)CCN1CCc2[nH]c(C=C3C(=O)Nc4ccc(Cl)cc43)c(C)c2C1=OMolecular Processing
Molecular formula
C23H27ClN4O2
Molecular weight
426.95
Exact mass
426.1823
XLogP
3.81
TPSA
68.44
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
120.88
Supplementary Information
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