SMILES:
CC1(C(=O)N[C@@H](CC(=O)O)C(=O)COc2ccccc2)CC(c2ccccc2)=NO1Molecular Processing
Molecular formula
C22H22N2O6
Molecular weight
410.43
Exact mass
410.1478
XLogP
2.18
TPSA
114.29
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
108.21
Supplementary Information
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