CC(C)(C)CC1C(C(C(N1)C(=O)O)C2=CC(=CC=C2)Cl)(C#N)C3=CC=C(C=C3)Cl
Название: 3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid
SMILES: CC(C)(C)CC1C(C(C(N1)C(=O)O)C2=CC(=CC=C2)Cl)(C#N)C3=CC=C(C=C3)Cl

Molecular Processing

Molecular formula
C23H24Cl2N2O2
Molecular weight
431.36
Exact mass
430.1215
XLogP
5.4
TPSA
73.12
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
115.36

Supplementary Information

InChIKey: RWGFAMSEHMBZER-UHFFFAOYSA-N
Синонимы
SCHEMBL2152487RWGFAMSEHMBZER-UHFFFAOYSA-Nrac-(2R,3R,4R,5S)-3-(3-chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid
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