SMILES:
O=C1CCC(N2C(=O)c3cccc(CNC(=O)OCc4ccccc4)c3C2=O)C(=O)N1Molecular Processing
Molecular formula
C22H19N3O6
Molecular weight
421.41
Exact mass
421.1274
XLogP
1.51
TPSA
121.88
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
106.58
Supplementary Information
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