이름: 1-(4-chloro-phenyl)-5-methyl-1H-pyrazole-4-carboxylic acid [(S)-3-oxo-1-(3-trifluoromethyl-phenyl)-propyl]-amide
SMILES:
Cc1c(C(=O)N[C@@H](CC=O)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1Molecular Processing
Molecular formula
C21H17ClF3N3O2
Molecular weight
435.83
Exact mass
435.0961
XLogP
4.91
TPSA
63.99
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
105.64
Supplementary Information
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