Name: (S)-ethyl 2-tert-butoxy-2-(1-(4-chlorophenyl)-3-methylnaphthalen-2-yl)acetate
SMILES:
Cc1cc2ccccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)OMolecular Processing
Molecular formula
C23H23ClO3
Molecular weight
382.89
Exact mass
382.1336
XLogP
6.41
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
110.35
Supplementary Information
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