Name: compound 1L
SMILES:
Cc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(=O)O)c(Cl)cc2n1Molecular Processing
Molecular formula
C22H21Cl2NO3
Molecular weight
418.32
Exact mass
417.0898
XLogP
6.46
TPSA
59.42
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
28
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
0.273
Molar refractivity
113.15
Supplementary Information
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