Name: (3SR,4RS)-3-(3,4-dichloro-phenyl)-4-[(3-fluoro-4-trifluoromethyl-benzyl)-methyl-amino]-pyrrolidine-1-carboxylic acid 3-chloro-propyl ester
SMILES:
CN(Cc1ccc(C(F)(F)F)c(F)c1)C1CN(C(=O)OCCCCl)CC1c1ccc(Cl)c(Cl)c1Molecular Processing
Molecular formula
C23H23Cl3F4N2O2
Molecular weight
541.8
Exact mass
540.0761
XLogP
6.82
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
124.12
Supplementary Information
Details werden geladen…
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