Name: (S)-ethyl 2-(3-(bromomethyl)-1-(4-chlorophenyl)naphthalen-2-yl)-2-tert-butoxyacetate
SMILES:
CN(C)Cc1cc2ccccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)OMolecular Processing
Molecular formula
C25H28ClNO3
Molecular weight
425.96
Exact mass
425.1758
XLogP
6.16
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
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
5
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
123
Supplementary Information
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