SMILES:
CC(C)C[C@@H](/C=C/C(=O)N1CCc2ccccc21)NC(=O)C1(N)CCOCC1.ClMolecular Processing
Molecular formula
C22H32ClN3O3
Molecular weight
421.97
Exact mass
421.2132
XLogP
2.59
TPSA
84.66
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.545
Molar refractivity
117.24
Supplementary Information
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