SMILES:
C=CC(C)(C)c1[nH]cnc1/C=C1\NC(=O)[C@@H](Cc2ccccc2)NC1=OMolecular Processing
Molecular formula
C20H22N4O2
Molecular weight
350.42
Exact mass
350.1743
XLogP
2.07
TPSA
86.88
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
100.01
Supplementary Information
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