SMILES:
CC(c1c[nH]c2ccccc12)C(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)OMolecular Processing
Molecular formula
C23H28N2O4
Molecular weight
396.49
Exact mass
396.2049
XLogP
4.28
TPSA
91.42
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
29
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
108.59
Supplementary Information
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