Nombre: compound
SMILES:
COC(=O)C=CC1(Cc2ccccc2)CN(C(=O)OC(C)(C)C)CCN1Molecular Processing
Molecular formula
C20H28N2O4
Molecular weight
360.45
Exact mass
360.2049
XLogP
2.54
TPSA
67.87
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
99.84
Supplementary Information
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