SMILES:
CCCOc1cccc(-c2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)c1Molecular Processing
Molecular formula
C20H23N3O2
Molecular weight
337.42
Exact mass
337.179
XLogP
4.64
TPSA
67.87
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
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
0.35
Molar refractivity
98.9
Supplementary Information
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