SMILES:
CNCc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(=O)O)c(C)cc2n1Molecular Processing
Molecular formula
C24H27ClN2O3
Molecular weight
426.94
Exact mass
426.171
XLogP
5.52
TPSA
71.45
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
120.9
Supplementary Information
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