SMILES:
Cc1ccccc1OC1=CC(=O)N([C@@H](CC(C)C)C(=O)Nc2ccn(C)n2)C1Molecular Processing
Molecular formula
C21H26N4O3
Molecular weight
382.46
Exact mass
382.2005
XLogP
2.89
TPSA
76.46
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
106.68
Supplementary Information
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