名称: 3-benzyl-3-(3,4-dichloro-benzoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(Cc2ccccc2)(C(=O)c2ccc(Cl)c(Cl)c2)C1Molecular Processing
Molecular formula
C23H25Cl2NO3
Molecular weight
434.36
Exact mass
433.1211
XLogP
6.05
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
115.8
Supplementary Information
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