SMILES:
COCCNC(=O)COc1ccc(C(=O)CN2CCN(c3ccncc3)CC2)cc1Molecular Processing
Molecular formula
C22H28N4O4
Molecular weight
412.49
Exact mass
412.2111
XLogP
1.23
TPSA
84
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
114.04
Supplementary Information
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