SMILES:
Cn1cc(-c2ccc(C(C)(O)Cc3nc(CC(C)(C)C)c[nH]3)cc2)cn1Molecular Processing
Molecular formula
C21H28N4O
Molecular weight
352.48
Exact mass
352.2263
XLogP
3.85
TPSA
66.73
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
103.67
Supplementary Information
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