CC(C)(CC1NC(C(=O)O)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F)C1CC1
Name: rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2-cyclopropyl-2-methyl-propyl)-pyrrolidine-2-carboxylic acid
SMILES: CC(C)(CC1NC(C(=O)O)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F)C1CC1

Molecular Processing

Molecular formula
C25H24Cl2F2N2O2
Molecular weight
493.38
Exact mass
492.1183
XLogP
6.07
TPSA
73.12
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
122.32

Supplementary Information

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