SMILES:
COC(=O)c1cccc2nc(C3(C)CCCN3C(=O)OCc3ccccc3)oc12Molecular Processing
Molecular formula
C22H22N2O5
Molecular weight
394.43
Exact mass
394.1529
XLogP
4.26
TPSA
81.87
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
105.27
Supplementary Information
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