SMILES:
COC(=O)COc1ccc(C(=O)C(C)CN2CCN(c3ccncc3)CC2)cc1Molecular Processing
Molecular formula
C22H27N3O4
Molecular weight
397.48
Exact mass
397.2002
XLogP
2.27
TPSA
71.97
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
110.34
Supplementary Information
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