SMILES:
CCOC(=O)c1ccc2c(C=O)c(C(C)C)n(Cc3cccnc3)c2c1Molecular Processing
Molecular formula
C21H22N2O3
Molecular weight
350.42
Exact mass
350.163
XLogP
4.2
TPSA
61.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
100.71
Supplementary Information
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