SMILES:
CC(=O)c1c(C)c(C#N)c2nc(C3CC3)oc2c1N1CC[C@H](N(C)C)C1Molecular Processing
Molecular formula
C20H24N4O2
Molecular weight
352.44
Exact mass
352.1899
XLogP
3.23
TPSA
73.37
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
99.75
Supplementary Information
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