SMILES:
O=C(C1CC1)N1CCC(Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1Molecular Processing
Molecular formula
C25H24N4O3
Molecular weight
428.49
Exact mass
428.1848
XLogP
3.77
TPSA
84.13
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
32
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
120.51
Supplementary Information
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